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<opus:title>A Segment-Based Dynamic Programming Algorithm for Predicting Gene Structure.</opus:title>
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<opus:title>A Method for Biomolecular Structural Recognition and Docking Allowing Conformational Flexibility.</opus:title>
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<opus:title>A Simple Iterative Approach to Parameter Optimization.</opus:title>
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<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#ForstS99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/DavidsonOB95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Davidson:Susan_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Overton:G=_Christian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Buneman:Peter.html" />
<opus:title>Challenges in Integrating Biological Data Sources.</opus:title>
<opus:pages>557-572</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#DavidsonOB95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/NewtonKRBT01">
<opus:last_modified_date>2002-10-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Newton:M=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kendziorski:C=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Richmond:C=_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Blattner:Frederick_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tsui:K=_W=.html" />
<opus:title>On Differential Variability of Expression Ratios: Improving Statistical Inference about Gene Expression Changes from Microarray Data.</opus:title>
<opus:pages>37-52</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#NewtonKRBT01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Guigo98">
<opus:last_modified_date>2002-07-25</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Guig=oacute=:Roderic.html" />
<opus:title>Assembling Genes from Predicted Exons In Linear Time with Dynamic Programming.</opus:title>
<opus:pages>681-702</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#Guigo98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Salzberg95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Salzberg:Steven.html" />
<opus:title>Locating Protein Coding Regions in Human DNA Using a Decision Tree Algorithm.</opus:title>
<opus:pages>473-485</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#Salzberg95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ChenDF00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Kevin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Durand:Dannie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Farach=Colton:Martin.html" />
<opus:title>NOTUNG: A Program for Dating Gene Duplications and Optimizing Gene Family Trees.</opus:title>
<opus:pages>429-447</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3-4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#ChenDF00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Letovsky95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Letovsky:Stanley.html" />
<opus:title>Beyond the Information Maze.</opus:title>
<opus:pages>539-546</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#Letovsky95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ChenJC01">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Ting.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jaffe:Jacob_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Church:George_M=.html" />
<opus:title>Algorithms for Identifying Protein Cross-Links via Tandem Mass Spectrometry.</opus:title>
<opus:pages>571-583</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#ChenJC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ChenSA98">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Cheng_Che.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Singh:Jaswinder_Pal.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Altman:Russ_B=.html" />
<opus:title>Hierarchical Organization of Molecular Structure Computations.</opus:title>
<opus:pages>409-422</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#ChenSA98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ZhangBM98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Zheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berman:Piotr.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miller:Webb.html" />
<opus:title>Alignments without Low-Scoring Regions.</opus:title>
<opus:pages>197-210</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#ZhangBM98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ZhangPM97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Zheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pearson:William_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miller:Webb.html" />
<opus:title>Aligning a DNA Sequence with a Protein Sequence.</opus:title>
<opus:pages>339-350</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#ZhangPM97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Baldi95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baldi:Pierre.html" />
<opus:title>Substitution Matrices and Hidden Markov Models.</opus:title>
<opus:pages>487-491</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#Baldi95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/FriedmanLNP00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Friedman:Nir.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Linial:Michal.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nachman:Iftach.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pe=er:Dana.html" />
<opus:title>Using Bayesian Networks to Analyze Expression Data.</opus:title>
<opus:pages>601-620</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3-4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#FriedmanLNP00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/FriedmanNPP02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Friedman:Nir.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Ninio:Matan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pe=er:Itsik.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pupko:Tal.html" />
<opus:title>A Structural EM Algorithm for Phylogenetic Inference.</opus:title>
<opus:pages>331-353</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#FriedmanNPP02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/DoughertyBBKCCBT02">
<opus:last_modified_date>2003-02-21</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dougherty:Edward_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barrera:Junior.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brun:Marcel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kim:Seungchan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Junior:Roberto_Marcondes_Cesar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Yidong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bittner:Michael_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Trent:Jeffrey_M=.html" />
<opus:title>Inference from Clustering with Application to Gene-Expression Microarrays.</opus:title>
<opus:pages>105-126</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#DoughertyBBKCCBT02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Parida98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Parida:Laxmi.html" />
<opus:title>A Uniform Framework for Ordered Restriction Map Problems.</opus:title>
<opus:pages>725-740</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#Parida98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MyersSZM96">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Myers:Gene.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Selznick:Sanford.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Zheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miller:Webb.html" />
<opus:title>Progressive Multiple Alignment with Constraints.</opus:title>
<opus:pages>563-572</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#MyersSZM96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LyngsoP00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lyngs=oslash=:Rune_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pedersen:Christian_N=_S=.html" />
<opus:title>RNA Pseudoknot Prediction in Energy-Based Models.</opus:title>
<opus:pages>409-427</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3-4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#LyngsoP00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Bailey-KelloggKSD01">
<opus:last_modified_date>2005-07-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bailey=Kellogg:Christopher.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kelley:John_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stein:Clifford.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Donald:Bruce_Randall.html" />
<opus:title>Reducing Mass Degeneracy in SAR by MS by Stable Isotopic Labeling.</opus:title>
<opus:pages>19-36</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#Bailey-KelloggKSD01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ShamirT02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shamir:Ron.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tsur:Dekel.html" />
<opus:title>Large Scale Sequencing by Hybridization.</opus:title>
<opus:pages>413-428</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#ShamirT02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MakarenkovL00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Makarenkov:Vladimir.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leclerc:Bruno.html" />
<opus:title>Comparison of Additive Trees Using Circular Orders.</opus:title>
<opus:pages>731-744</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#MakarenkovL00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/RobinS02">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Robin:St=eacute=phane.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schbath:Sophie.html" />
<opus:title>Numerical Comparison of Several Approximations of the Word Count Distribution in Random Sequences.</opus:title>
<opus:pages>349-359</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#RobinS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/HartRSC00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hart:Reece.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Royyuru:Ajay_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stolovitzky:Gustavo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Califano:Andrea.html" />
<opus:title>Systematic and Fully Automated Identification of Protein Sequence Patterns.</opus:title>
<opus:pages>585-600</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3-4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#HartRSC00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/StoyanovKGKC00">
<opus:last_modified_date>2002-06-19</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stoyanov:Ognyan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kister:Alexander.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gelfand:Israel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kulikowski:Casimir_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chothia:Cyrus.html" />
<opus:title>Geometric Invariant Core for the CL and CH1 Domains of Immunoglobulin Molecules.</opus:title>
<opus:pages>673-684</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#StoyanovKGKC00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/JaakkolaDH00">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jaakkola:Tommi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Diekhans:Mark.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Haussler:David.html" />
<opus:title>A Discriminative Framework for Detecting Remote Protein Homologies.</opus:title>
<opus:pages>95-114</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#JaakkolaDH00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/EskinNS02">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eskin:Eleazar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Noble:William_Stafford.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Singer:Yoram.html" />
<opus:title>Using Substitution Matrices to Estimate Probability Distributions for Biological Sequences.</opus:title>
<opus:pages>775-792</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#EskinNS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/EskinNS03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eskin:Eleazar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Noble:William_Stafford.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Singer:Yoram.html" />
<opus:title>Protein Family Classification Using Sparse Markov Transducers.</opus:title>
<opus:pages>187-214</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb10.html#EskinNS03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/FasuloJKST99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fasulo:Daniel_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jiang:Tao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karp:Richard_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Settergren:Reuben.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thayer:Edward_C=.html" />
<opus:title>An Algorithmic Approach to Multiple Complete Digest Mapping.</opus:title>
<opus:pages>187-208</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#FasuloJKST99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/RockeD01">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rocke:David_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Durbin:Blythe.html" />
<opus:title>A Model for Measurement Error for Gene Expression Arrays.</opus:title>
<opus:pages>557-569</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#RockeD01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/CohenF97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cohen:Jaime.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Farach:Martin.html" />
<opus:title>Numerical Taxonomy on Data: Experimental Results.</opus:title>
<opus:pages>547-558</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#CohenF97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/WahdeH02">
<opus:last_modified_date>2004-07-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wahde:Mattias.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hertz:John_A=.html" />
<opus:title>Modeling Genetic Regulatory Dynamics in Neural Development.</opus:title>
<opus:pages>429-442</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#WahdeH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Grundy98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grundy:William_Noble.html" />
<opus:title>Homology Detection via Family Pairwise Search.</opus:title>
<opus:pages>479-492</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#Grundy98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LuC03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lu:Bingwen.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Ting.html" />
<opus:title>A Suboptimal Algorithm for De Novo Peptide Sequencing via Tandem Mass Spectrometry.</opus:title>
<opus:pages>1-12</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb10.html#LuC03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/EfratHKSW02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Efrat:Alon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hoffmann:Frank.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kriegel:Klaus.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schultz:Christof.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wenk:Carola.html" />
<opus:title>Geometric Algorithms for the Analysis of 2D-Electrophoresis Gels.</opus:title>
<opus:pages>299-315</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#EfratHKSW02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/WangG98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Lusheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gusfield:Dan.html" />
<opus:title>Constructing Additive Trees When the Error Is Small.</opus:title>
<opus:pages>137-134</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#WangG98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/WangJ94">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Lusheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jiang:Tao.html" />
<opus:title>On the Complexity of Multiple Sequence Alignment.</opus:title>
<opus:pages>337-348</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>1</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb1.html#WangJ94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/YangHBNELO03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yang:Yaning.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hoh:Josephine.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Broger:Clemens.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Neeb:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Edington:Joanne.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lindpaintner:Klaus.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ott:J=uuml=rg.html" />
<opus:title>Statistical Methods for Analyzing Microarray Feature Data with Replications.</opus:title>
<opus:pages>157-170</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb10.html#YangHBNELO03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LeungMS96">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leung:M==Y=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Marsh:G=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Speed:Terence_P=.html" />
<opus:title>Over- and Underrepresentation of Short DNA Words in Herpesvirus Genomes.</opus:title>
<opus:pages>345-360</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#LeungMS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Sun95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sun:Fengzhu.html" />
<opus:title>The Polymerase Chain Reaction and Branching Processes.</opus:title>
<opus:pages>63-86</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#Sun95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Sun99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sun:Fengzhu.html" />
<opus:title>Modeling DNA Shuffling.</opus:title>
<opus:pages>77-90</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#Sun99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/DyerFS95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dyer:Martin_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Frieze:Alan_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Suen:Stephen.html" />
<opus:title>Ordering Clone Libraries in Computational Biology.</opus:title>
<opus:pages>207-218</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#DyerFS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/HeberSFHV00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Heber:Steffen.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stoye:Jens.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Frohme:Marcus.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hoheisel:J=ouml=rg_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vingron:Martin.html" />
<opus:title>Contig Selection in Physical Mapping.</opus:title>
<opus:pages>395-408</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3-4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#HeberSFHV00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/XuU97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xu:Ying.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Uberbacher:Edward_C=.html" />
<opus:title>Automated Gene Identification in Large-Scale Genomic Sequences.</opus:title>
<opus:pages>325-338</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#XuU97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/YuH01">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yu:Yi=Kuo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hwa:Terence.html" />
<opus:title>Statistical Significance of Probabilistic Sequence Alignment and Related Local Hidden Markov Models.</opus:title>
<opus:pages>249-282</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#YuH01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/YuS99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yu:Lihua.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:Temple_F=.html" />
<opus:title>Positional Statistical Significance in Sequence Alignment.</opus:title>
<opus:pages>253-260</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#YuS99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Karp95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karp:Peter_D=.html" />
<opus:title>A Strategy for Database Interoperation.</opus:title>
<opus:pages>573-586</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#Karp95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/RadmacherMS03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McShane:Lisa_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Simon:Richard.html" />
<opus:title>A Paradigm for Class Prediction Using Gene Expression Profiles.</opus:title>
<opus:pages>505-512</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#RadmacherMS03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MianMHC98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mian:I=_Saira.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Moser:M=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Holley:W=_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chatterjee:A=.html" />
<opus:title>Statistical Modelling and phylogenetic Analysis of a Deaminase Domain.</opus:title>
<opus:pages>57-72</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#MianMHC98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Jong02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jong:Hidde_de.html" />
<opus:title>Modeling and Simulation of Genetic Regulatory Systems: A Literature Review.</opus:title>
<opus:pages>67-103</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#Jong02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/KimS99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kim:S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Segre:Alberto_Maria.html" />
<opus:title>AMASS: A Structured Pattern Matching Approach to Shotgun Sequence Assembly.</opus:title>
<opus:pages>163-186</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#KimS99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/RajePS02">
<opus:last_modified_date>2004-11-17</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Raje:Dhananjay_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Purohit:Hemant_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Singh:R=_N=.html" />
<opus:title>Distinguishing Features of 16S rDNA Gene for Five Dominating Bacterial Genus Observed in Bioremediation.</opus:title>
<opus:pages>819-830</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#RajePS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Just01">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Just:Winfried.html" />
<opus:title>Computational Complexity of Multiple Sequence Alignment with SP-Score.</opus:title>
<opus:pages>615-623</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#Just01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Benson97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Benson:Gary.html" />
<opus:title>Sequence Alignment with Tandem Duplication.</opus:title>
<opus:pages>351-368</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#Benson97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Bentil98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bentil:Daniel_E=.html" />
<opus:title>Modelling and Simulation of Motility in Actomyosin Systems.</opus:title>
<opus:pages>73-86</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#Bentil98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ApostolicoBLX00">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Apostolico:Alberto.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bock:Mary_Ellen.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lonardi:Stefano.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xu:Xuyan.html" />
<opus:title>Efficient Detection of Unusual Words.</opus:title>
<opus:pages>71-94</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#ApostolicoBLX00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SmithCCLFLT98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:Lloyd_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Corn:Robert_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Condon:Anne.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lagally:Max_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Frutos:Tony.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Qinghua.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thiel:Andrew.html" />
<opus:title>A Surface-Based Approach to DNA Computation.</opus:title>
<opus:pages>255-266</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#SmithCCLFLT98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/CowenBMKB02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cowen:Lenore.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bradley:Phil.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Menke:Matthew.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/King:Jonathan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berger:Bonnie.html" />
<opus:title>Predicting the Beta-Helix Fold from Protein Sequence Data.</opus:title>
<opus:pages>261-276</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#CowenBMKB02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/WanLFW03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wan:Honghui.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Lugang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Federhen:Scott.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wootton:John_C=.html" />
<opus:title>Discovering Simple Regions in Biological Sequences Associated with Scoring Schemes.</opus:title>
<opus:pages>171-186</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb10.html#WanLFW03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LiLW03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Xueliang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Zimao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Lusheng.html" />
<opus:title>The Inverse Problems for Some Topological Indices in Combinatorial Chemistry.</opus:title>
<opus:pages>47-56</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb10.html#LiLW03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LinS97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lin:Shili.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Speed:Terence_P=.html" />
<opus:title>An Algorithm for Haplotype Analysis.</opus:title>
<opus:pages>535-546</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#LinS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LiuC03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Agatha_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Califano:Andrea.html" />
<opus:title>CASTOR: Clustering Algorithm for Sequence Taxonomical Organization and Relationships.</opus:title>
<opus:pages>21-46</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb10.html#LiuC03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/KnillST96">
<opus:last_modified_date>2003-06-30</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Knill:Emanuel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schliep:Alexander.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Torney:David_C=.html" />
<opus:title>Interpretation of Pooling Experiments Using the Markov Chain Monte Carlo Method.</opus:title>
<opus:pages>395-406</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#KnillST96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/HusmeierW02">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Husmeier:Dirk.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wright:Frank.html" />
<opus:title>Detection of Recombination in DNA Multiple Alignments with Hidden Markov Models.</opus:title>
<opus:pages>401-427</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#HusmeierW02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BiluL02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bilu:Yonatan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Linial:Michal.html" />
<opus:title>The Advantage of Functional Prediction Based on Clustering of Yeast Genes and Its Correlation with Non-Sequence Based Classifications.</opus:title>
<opus:pages>193-210</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#BiluL02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Bryant96">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bryant:David.html" />
<opus:title>Hunting for Trees in Binary Character Sets: Efficient Algorithms for Extraction, Enumeration and Optimization.</opus:title>
<opus:pages>275-288</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#Bryant96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/HwangL03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hwang:Frank_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Y=_C=.html" />
<opus:title>Error-Tolerant Pooling Designs with Inhibitors.</opus:title>
<opus:pages>231-236</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb10.html#HwangL03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MercierD02">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mercier:Sabine.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Daudin:Jean=Jacques.html" />
<opus:title>Exact Distribution for the Local Score of One i.i.d. Random Sequence.</opus:title>
<opus:pages>373-380</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#MercierD02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/DancikHM97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Danc=iacute=k:Vlado.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hannenhalli:Sridhar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Muthukrishnan:S=.html" />
<opus:title>Hardness of Flip-Cut Problems from Optical Mapping.</opus:title>
<opus:pages>119-126</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#DancikHM97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BuhlerT02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Buhler:Jeremy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tompa:Martin.html" />
<opus:title>Finding Motifs Using Random Projections.</opus:title>
<opus:pages>225-242</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#BuhlerT02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/GillettDHC95">
<opus:last_modified_date>2005-05-30</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gillett:Will_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Daues:Jim.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hanks:Liz.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Capra:Robert_G=.html" />
<opus:title>Fragment Collapsing and Splitting While Assembling High-Resolution Restriction Maps.</opus:title>
<opus:pages>185-205</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#GillettDHC95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Berger95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berger:Bonnie.html" />
<opus:title>Algorithms for Protein Structural Motif Recognition.</opus:title>
<opus:pages>125-138</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#Berger95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BenhamKPW95">
<opus:last_modified_date>2004-01-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Benham:Craig_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kannan:Sampath.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Paterson:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Warnow:Tandy.html" />
<opus:title>Hen&apos;s Teeth and Whale&apos;s Feet: Generalized Characters and Their Compatibility.</opus:title>
<opus:pages>515-525</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#BenhamKPW95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/AnantharamanMS97">
<opus:last_modified_date>2002-06-19</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Anantharaman:Thomas_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mishra:Bud.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schwartz:David_C=.html" />
<opus:title>Genomics via Optical Mapping II: Ordered Restriction Maps.</opus:title>
<opus:pages>91-118</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#AnantharamanMS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/WangZZ01">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Lusheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Kaizhong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Louxin.html" />
<opus:title>Perfect Phylogenetic Networks with Recombination.</opus:title>
<opus:pages>69-78</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#WangZZ01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BadretdinovF98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Badretdinov:Azat_Ya=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Finkelstein:Alexei_V=.html" />
<opus:title>How Homologs Can Help to Predict Protein Folds Even Though They Cannot Be Predicted for Individual Sequences.</opus:title>
<opus:pages>369-376</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#BadretdinovF98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SankoffBDLB00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sankoff:David.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bryant:David.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Deneault:M=eacute=lanie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lang:B=_Franz.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Burger:Gertraud.html" />
<opus:title>Early Eukaryote Evolution Based on Mitochondrial Gene Order Breakpoints.</opus:title>
<opus:pages>521-535</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3-4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#SankoffBDLB00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/HartI97a">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hart:William_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Istrail:Sorin.html" />
<opus:title>Robust Proofs of NP-Hardness for Protein Folding: General Lattices and Energy Potentials.</opus:title>
<opus:pages>1-22</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#HartI97a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/HuynenPVS96">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Huynen:Martijn_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Perelson:Alan_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vieira:W=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stadler:Peter_F=.html" />
<opus:title>Base Pairing Probabilities in a Complete HIV-1 RNA.</opus:title>
<opus:pages>253-274</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#HuynenPVS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BermanZWKM00">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berman:Piotr.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Zheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wolf:Yuri_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Koonin:Eugene_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miller:Webb.html" />
<opus:title>Winnowing Sequences from a Database Search.</opus:title>
<opus:pages>293-302</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#BermanZWKM00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Piau02">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Piau:Didier.html" />
<opus:title>Mutation-Replication Statistics of Polymerase Chain Reactions.</opus:title>
<opus:pages>831-848</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#Piau02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/KelleyC96">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kelley:C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Curchill:G=_A=.html" />
<opus:title>Biases in Amino Acid Replacement Matrices and Alignment Scores Due to Rate Heterogeniety.</opus:title>
<opus:pages>307-318</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#KelleyC96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/JainM95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jain:Mudita.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Myers:Eugene_W=.html" />
<opus:title>A Note on Scoring Clones Given a Probe Ordering.</opus:title>
<opus:pages>33-37</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#JainM95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/JainM97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jain:Mudita.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Myers:Eugene_W=.html" />
<opus:title>Algorithms for Computing and Integrating Physical Maps Using Unique Probes.</opus:title>
<opus:pages>449-466</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#JainM97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/WongCC98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wong:W=_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cui:Y=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:R=_S=.html" />
<opus:title>Torsional Relaxation for Biopolymers.</opus:title>
<opus:pages>655-666</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#WongCC98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LandauSS01">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Landau:Gad_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schmidt:Jeanette_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sokol:Dina.html" />
<opus:title>An Algorithm for Approximate Tandem Repeats.</opus:title>
<opus:pages>1-18</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#LandauSS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/GilbertNME01">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gilbert:Peter_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Novitsky:Vladimir_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Montano:Monty_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Essex:Max.html" />
<opus:title>An Efficient Test for Comparing Sequence Diversity between Two Populations.</opus:title>
<opus:pages>123-139</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#GilbertNME01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/AspnesHKKS02">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Aspnes:James.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hartling:Julia.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kao:Ming=Yang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kim:Junhyong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shah:Gauri.html" />
<opus:title>A Combinatorial Toolbox for Protein Sequence Design and Landscape Analysis in the Grand Canonical Model.</opus:title>
<opus:pages>721-742</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#AspnesHKKS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SchbathBT00">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schbath:Sophie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bossard:Nathalie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tavar=eacute=:Simon.html" />
<opus:title>The Effect of Nonhomogeneous Clone Length Distribution on the Progress of an STS Mapping Project.</opus:title>
<opus:pages>47-57</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#SchbathBT00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Searls01">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Searls:David_B=.html" />
<opus:title>From Jabberwocky to Genome: Lewis Carroll and Computational Biology.</opus:title>
<opus:pages>339-348</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#Searls01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SankoffB98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sankoff:David.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Blanchette:Mathieu.html" />
<opus:title>Multiple Genome Rearrangement and Breakpoint Phylogeny.</opus:title>
<opus:pages>555-570</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#SankoffB98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SankoffB99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sankoff:David.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Blanchette:Mathieu.html" />
<opus:title>Phylogenetic Invariants for Genome Rearrangements.</opus:title>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#SankoffB99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SchbathPT95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schbath:Sophie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Prum:Bernard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Turckheim:Elisabeth_de.html" />
<opus:title>Exceptional Motifs in Different Markov Chain Models for a Statistical Analysis of DNA Sequences.</opus:title>
<opus:pages>417-437</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#SchbathPT95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BhandarkarCA96">
<opus:last_modified_date>2002-08-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bhandarkar:Suchendra_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chirravuri:Sridhar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Arnold:Jonathan.html" />
<opus:title>Parallel Computing of Physical Maps--A Comparative Study in SIMD and MIMD Parallelism.</opus:title>
<opus:pages>503-528</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#BhandarkarCA96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MaratheCC01">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Marathe:Amit.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Condon:Anne.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Corn:Robert_M=.html" />
<opus:title>On Combinatorial DNA Word Design.</opus:title>
<opus:pages>201-219</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#MaratheCC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Mamitsuka96">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mamitsuka:Hiroshi.html" />
<opus:title>A Learning Method of Hidden Markov Models for Sequence Discrimination.</opus:title>
<opus:pages>361-374</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#Mamitsuka96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Horton01">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Horton:Paul.html" />
<opus:title>Tsukuba BB: A Branch and Bound Algorithm for Local Multiple Alignment of DNA and Protein Sequences.</opus:title>
<opus:pages>283-303</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#Horton01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/HusonNW99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Huson:Daniel_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nettles:Scott.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Warnow:Tandy.html" />
<opus:title>Disk-Covering, a Fast-Converging Method for Phylogenetic Tree Reconstruction.</opus:title>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#HusonNW99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/EvansZ98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Evans:S=_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhou:X=.html" />
<opus:title>Constructing and Counting Phylogenetic Invariants.</opus:title>
<opus:pages>713-724</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#EvansZ98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Wooley99">
<opus:last_modified_date>2002-09-06</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wooley:John_C=.html" />
<opus:title>Trends in Computational Biology: A Summary Based on a RECOMB Plenary Lecture, 1999.</opus:title>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#Wooley99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LenhofRV98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lenhof:Hans=Peter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reinert:Knut.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vingron:Martin.html" />
<opus:title>A Polyhedral Approach to RNA Sequence Structure Alignment.</opus:title>
<opus:pages>517-530</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#LenhofRV98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Astrand03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/=/=Aring=strand:Magnus.html" />
<opus:title>Contrast Normalization of Oligonucleotide Arrays.</opus:title>
<opus:pages>95-102</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb10.html#Astrand03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/OhkuboC00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ohkubo:Y=_Zenmei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Crippen:Gordon_M=.html" />
<opus:title>Potential Energy Function for Continuous State Models of Globular Proteins.</opus:title>
<opus:pages>363-379</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3-4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#OhkuboC00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/RiouxGL94">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rioux:P=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gilbert:W=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Littlejohn:Timothy_G=.html" />
<opus:title>A Portable Search Engine and Browser for the Entrez DataBase.</opus:title>
<opus:pages>293-296</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>1</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb1.html#RiouxGL94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Takai-IgarashiNK98">
<opus:last_modified_date>2003-07-04</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Takai=Igarashi:Takako.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nadaoka:Y=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kaminuma:Tsuguchika.html" />
<opus:title>A Database for Cell Signaling Networks.</opus:title>
<opus:pages>747-</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#Takai-IgarashiNK98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/AlthausKLM02">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Althaus:Ernst.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kohlbacher:Oliver.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lenhof:Hans=Peter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/M=uuml=ller:Peter.html" />
<opus:title>A Combinatorial Approach to Protein Docking with Flexible Side Chains.</opus:title>
<opus:pages>597-612</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#AlthausKLM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MeidanisWD02">
<opus:last_modified_date>2005-03-17</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Meidanis:Jo=atilde=o.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Walter:Maria_Emilia_Telles.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dias:Zanoni.html" />
<opus:title>A Lower Bound on the Reversal and Transposition Diameter.</opus:title>
<opus:pages>743-746</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#MeidanisWD02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/WatermanIP97">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Waterman:Michael_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Istrail:Sorin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pevzner:Pavel_A=.html" />
<opus:title>Selected Papers from RECOMB&apos;97 - Preface.</opus:title>
<opus:pages>215-216</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#WatermanIP97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SzeP97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sze:Sing=Hoi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pevzner:Pavel_A=.html" />
<opus:title>Las Vegas Algorithms for Gene Recognition: Suboptimal and Error-Tolerant Spliced Alignment.</opus:title>
<opus:pages>297-310</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#SzeP97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Tran98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tr=acirc=n:Nicholas_W=.html" />
<opus:title>An Easy Case of Sorting by Reversals.</opus:title>
<opus:pages>741-746</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#Tran98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/IduryW95">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Idury:Ramana_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Waterman:Michael_S=.html" />
<opus:title>A New Algorithm for DNA Sequence Assembly.</opus:title>
<opus:pages>291-306</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#IduryW95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/FilkovSZ02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Filkov:Vladimir.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Skiena:Steven.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhi:Jizu.html" />
<opus:title>Analysis Techniques for Microarray Time-Series Data.</opus:title>
<opus:pages>317-330</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#FilkovSZ02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BaileyG03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bailey:Timothy_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gribskov:Michael.html" />
<opus:title>Estimating and Evaluating the Statistics of Gapped Local-Alignment Scores.</opus:title>
<opus:pages>575-596</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#BaileyG03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BaileyG97">
<opus:last_modified_date>2002-09-06</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bailey:Timothy_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gribskov:Michael.html" />
<opus:title>Score Distributions for Simultaneous Matching to Multiple Motifs.</opus:title>
<opus:pages>45-60</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#BaileyG97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BaileyG98">
<opus:last_modified_date>2002-09-06</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bailey:Timothy_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gribskov:Michael.html" />
<opus:title>Methods and Statistics for Combining Motif Match Scores.</opus:title>
<opus:pages>211-222</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#BaileyG98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/GuptaKS95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gupta:Sandeep_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kececioglu:John_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sch=auml=ffer:Alejandro_A=.html" />
<opus:title>Improving the Practical Space and Time Efficiency of the Shortest-Paths Approach to Sum-of-Pairs Multiple Sequence Alignment.</opus:title>
<opus:pages>459-472</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#GuptaKS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SchmidlerLB00">
<opus:last_modified_date>2002-11-14</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schmidler:Scott_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Jun_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brutlag:Douglas_L=.html" />
<opus:title>Bayesian Segmentation of Protein Secondary Structure.</opus:title>
<opus:pages>233-248</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#SchmidlerLB00</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MarkowitzR95">
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<opus:title>Characterizing Heterogeneous Molecular Biology Database Systems.</opus:title>
<opus:pages>547-556</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#MarkowitzR95</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ReinertSW00">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Waterman:Michael_S=.html" />
<opus:title>Probabilistic and Statistical Properties of Words: An Overview.</opus:title>
<opus:pages>1-46</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#ReinertSW00</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/NayakSZ99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sinclair:Alistair.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zwick:Uri.html" />
<opus:title>Spatial Codes and the Hardness of String Folding Problems.</opus:title>
<opus:pages>13-36</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#NayakSZ99</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/YanikogluE02">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Erman:Burak.html" />
<opus:title>Minimum Energy Configurations of the 2-Dimensional HP-Model of Proteins by Self-Organizing Networks.</opus:title>
<opus:pages>613-620</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#YanikogluE02</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/NadkarniCCMK96">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Castiglione:C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miller:Perry_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kidd:Kenneth_K=.html" />
<opus:title>DNA Workbench: A Database Package to Manage Regional Physical Mapping.</opus:title>
<opus:pages>319-330</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#NadkarniCCMK96</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/EscalierPSV98">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Soldano:Henry.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Viari:Alain.html" />
<opus:title>Pairwide and Multiple Identification of Three-Dimensional Common Substructures in Proteins.</opus:title>
<opus:pages>41-56</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#EscalierPSV98</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Ben-DorCGOP98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chor:Benny.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Graur:Dan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ophir:Ron.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pelleg:Dan.html" />
<opus:title>Constructing Phylogenies from Quartets: Elucidation of Eutherian Superordinal Relationships.</opus:title>
<opus:pages>377-390</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#Ben-DorCGOP98</rdfs:seeAlso>
</opus:Article>

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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schbath:Sophie.html" />
<opus:title>An Efficient Statistic to Detect Over-and Under-Represented Words in DNA Sequences.</opus:title>
<opus:pages>189-192</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#Schbath97a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/PachterBSBLKB99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pachter:Lior.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Batzoglou:Serafim.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Spitkovsky:Valentin_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Banks:E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lander:Eric_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kleitman:Daniel_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berger:Bonnie.html" />
<opus:title>A Dictionary-Based Approach for Gene Annotation.</opus:title>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#PachterBSBLKB99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Nicodeme01">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nicod=egrave=me:Pierre.html" />
<opus:title>Fast Approximate Motif Statistics.</opus:title>
<opus:pages>235-248</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#Nicodeme01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/WuNB99">
<opus:last_modified_date>2002-08-30</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wu:Thomas_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nevill=Manning:Craig_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brutlag:Douglas_L=.html" />
<opus:title>Minimal-Risk Scoring Matrices for Sequence Analysis.</opus:title>
<opus:pages>219-236</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#WuNB99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/WuZC96">
<opus:last_modified_date>2006-03-14</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wu:Cathy_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhao:S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:H==L=.html" />
<opus:title>A Protein Class Database Organized with ProSite Protein Groups and PIR Superfamilies.</opus:title>
<opus:pages>547-562</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#WuZC96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/CrescenziGPPY98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Crescenzi:Pierluigi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Goldman:Deborah.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Papadimitriou:Christos_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Piccolboni:Antonio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yannakakis:Mihalis.html" />
<opus:title>On the Complexity of Protein Folding.</opus:title>
<opus:pages>423-466</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#CrescenziGPPY98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/DesperG02">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Desper:Richard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gascuel:Olivier.html" />
<opus:title>Fast and Accurate Phylogeny Reconstruction Algorithms Based on the Minimum-Evolution Principle.</opus:title>
<opus:pages>687-706</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#DesperG02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Ben-DorKSY00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Ben=Dor:Amir.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karp:Richard_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schwikowski:Benno.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yakhini:Zohar.html" />
<opus:title>Universal DNA Tag Systems: A Combinatorial Design Scheme.</opus:title>
<opus:pages>503-519</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3-4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#Ben-DorKSY00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BroetRR02">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bro=euml=t:Philippe.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Richardson:Sylvia.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Radvanyi:Fran=ccedil=ois.html" />
<opus:title>Bayesian Hierarchical Model for Identifying Changes in Gene Expression from Microarray Experiments.</opus:title>
<opus:pages>671-686</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#BroetRR02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/XuMU96">
<opus:last_modified_date>2002-05-29</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xu:Ying.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mural:Richard_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Uberbacher:Edward_C=.html" />
<opus:title>An Iterative Algorithm for Correcting Sequencing Errors in DNA Coding Regions.</opus:title>
<opus:pages>333-344</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#XuMU96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Ben-DorPSS02">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Ben=Dor:Amir.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pe=er:Itsik.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shamir:Ron.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sharan:Roded.html" />
<opus:title>On the Complexity of Positional Sequencing by Hybridization.</opus:title>
<opus:pages>361-371</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#Ben-DorPSS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/XuXU98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xu:Ying.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xu:Dong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Uberbacher:Edward_C=.html" />
<opus:title>An Efficient Computational Method for Globally Optimal Threading.</opus:title>
<opus:pages>597-</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#XuXU98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/PenchovskyA03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Penchovsky:Robert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Ackermann:J=ouml=rg.html" />
<opus:title>DNA Library Design for Molecular Computation.</opus:title>
<opus:pages>215-230</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb10.html#PenchovskyA03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/WuSHB98">
<opus:last_modified_date>2002-08-30</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wu:Thomas_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schmidler:Scott_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hastie:Trevor.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brutlag:Douglas_L=.html" />
<opus:title>Regression Analysis of Multiple Protein Structures.</opus:title>
<opus:pages>585-596</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#WuSHB98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/GoryachevME02">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Macgregor:Pascale_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Edwards:Aled_M=.html" />
<opus:title>Unfolding of Microarray Data.</opus:title>
<opus:pages>443-461</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#GoryachevME02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/GelfandKKS98">
<opus:last_modified_date>2002-06-19</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gelfand:Israel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kister:Alexander.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kulikowski:Casimir_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stoyanov:Ognyan.html" />
<opus:title>&lt;sub&gt;L&lt;/sub&gt;&lt;sub&gt;H&lt;/sub&gt;Domains of Immunoglobulin Molecules.</opus:title>
<opus:pages>467-478</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#GelfandKKS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BafnaHRV00">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bafna:Vineet.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hannenhalli:Sridhar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rice:Ken.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vawter:Lisa.html" />
<opus:title>Ligand-Receptor Pairing Via Tree Comparison.</opus:title>
<opus:pages>59-70</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#BafnaHRV00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Takahashi96">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Takahashi:Y=.html" />
<opus:title>A Mathematical Solution to a Network Designing Problem.</opus:title>
<opus:pages>97-142</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#Takahashi96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SankoffFN97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sankoff:David.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Ferretti:Vincent.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nadeau:Joseph_H=.html" />
<opus:title>Conserved Segment Identification.</opus:title>
<opus:pages>559-</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#SankoffFN97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/GelfandPAR96">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gelfand:Mikhail_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Podolsky:L=_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Astakhova:Tatiana_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roytberg:Mikhail_A=.html" />
<opus:title>Recognition of Genes in Human DNA Sequences.</opus:title>
<opus:pages>223-234</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#GelfandPAR96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/EidhammerJT00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eidhammer:Ingvar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jonassen:Inge.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Taylor:William_R=.html" />
<opus:title>Structure Comparison and Structure Patterns.</opus:title>
<opus:pages>685-716</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#EidhammerJT00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/DalgaardMHM97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dalgaard:J=_Z=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Moser:M=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hughey:Richard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mian:I=_Saira.html" />
<opus:title>Statistic Modeling, Phylogenetic Analysis and Strjucture Prediction of a Protein Splicing Domain Common to Infeins and Hedgehog Proteins.</opus:title>
<opus:pages>193-</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#DalgaardMHM97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/KarpP96">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Paley:Suzanne_M=.html" />
<opus:title>Integrated Access to Metabolic and Genomic Data.</opus:title>
<opus:pages>191-</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#KarpP96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/KarpS00">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karp:Richard_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shamir:Ron.html" />
<opus:title>Algorithms for Optical Mapping.</opus:title>
<opus:pages>303-316</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#KarpS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SewellD95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sewell:Roger_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Durbin:Richard.html" />
<opus:title>Method for Calculation of Probability of Matching a Bounded Regular Expression in a Random Data String.</opus:title>
<opus:pages>25-31</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#SewellD95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MukherjeeTRRECGM03">
<opus:last_modified_date>2004-12-10</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mukherjee:Sayan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tamayo:Pablo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rogers:Simon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rifkin:Ryan_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Engle:Anna.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Campbell:Colin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Golub:Todd_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mesirov:Jill_P=.html" />
<opus:title>Estimating Dataset Size Requirements for Classifying DNA Microarray Data.</opus:title>
<opus:pages>119-142</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb10.html#MukherjeeTRRECGM03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Bundschuh02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bundschuh:Ralf.html" />
<opus:title>Rapid Significance Estimation in Local Sequence Alignment with Gaps.</opus:title>
<opus:pages>243-260</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#Bundschuh02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ChristofJKMR97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Christof:Thomas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/J=uuml=nger:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kececioglu:John_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mutzel:Petra.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reinelt:Gerhard.html" />
<opus:title>A Branch-and-Cut Approach to Physical Mapping of Chromosomes by Unique End-Probes.</opus:title>
<opus:pages>433-448</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#ChristofJKMR97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/TangWY02">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tang:Mengxiang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Waterman:Michael_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yooseph:Shibu.html" />
<opus:title>Zinc Finger Gene Clusters and Tandem Gene Duplication.</opus:title>
<opus:pages>429-446</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#TangWY02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/KruglyakL98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kruglyak:Leonid.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lander:Eric_S=.html" />
<opus:title>Faster Multipoint Linkage Analysis Using Fourier Transforms.</opus:title>
<opus:pages>1-8</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#KruglyakL98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/KruglyakT01">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kruglyak:Semyon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tang:Haixu.html" />
<opus:title>A New Estimator of Significance of Correlation in Time Series Data.</opus:title>
<opus:pages>463-470</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#KruglyakT01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Ben-DorSY99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Ben=Dor:Amir.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shamir:Ron.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yakhini:Zohar.html" />
<opus:title>Clustering Gene Expression Patterns.</opus:title>
<opus:pages>281-297</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#Ben-DorSY99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/HendersonSF97">
<opus:last_modified_date>2002-10-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Henderson:John.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Salzberg:Steven.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fasman:Kenneth_H=.html" />
<opus:title>Finding Genes in DNA with a Hidden Markov Model.</opus:title>
<opus:pages>127-142</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#HendersonSF97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Joshi96">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Joshi:R=_R=.html" />
<opus:title>A Self-Organizing Cognitive Network of Antibody Repertoire Development.</opus:title>
<opus:pages>529-546</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#Joshi96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/AlizadehKWZ95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alizadeh:Farid.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karp:Richard_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weisser:Deborah_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zweig:Geoffrey.html" />
<opus:title>Physical Mapping of Chromosomes Using Unique Probes.</opus:title>
<opus:pages>159-184</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#AlizadehKWZ95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Dewey01">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dewey:T=_Gregory.html" />
<opus:title>A Sequence Alignment Algorithm with an Arbitrary Gap Penalty Function.</opus:title>
<opus:pages>177-190</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#Dewey01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ArmenS95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stein:Clifford.html" />
<opus:title>Short Superstrings and the Structure of Overlapping Strings.</opus:title>
<opus:pages>307-332</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#ArmenS95</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BerezovskyET00">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tumanyan:Vladimir.html" />
<opus:title>Hierarchy of Regions of Amino Acid Sequence with Respect to Their Role in the Protein Spatial Structure.</opus:title>
<opus:pages>183-192</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#BerezovskyET00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/WangRSSWY99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Jason_Tsong=Li.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rozen:Steve.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shapiro:Bruce_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shasha:Dennis.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Zhiyuan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yin:Maisheng.html" />
<opus:title>New Techniques for DNA Sequence Classification.</opus:title>
<opus:pages>209-218</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#WangRSSWY99</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LaiSAS03">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sun:Fengzhu.html" />
<opus:title>The Mutation Process of Microsatellites During the Polymerase Chain Reaction.</opus:title>
<opus:pages>143-156</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb10.html#LaiSAS03</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/JoshiK96">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Krishnanand:K=.html" />
<opus:title>Probabilistic Learning in Immune Network: Weighted Tree Matching Model.</opus:title>
<opus:pages>143-162</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#JoshiK96</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/GonnetKB00">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Benner:Steven_A=.html" />
<opus:title>Evaluation Measures of Multiple Sequence Alignments.</opus:title>
<opus:pages>261-276</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#GonnetKB00</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/StoreyS01">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Siegmund:David.html" />
<opus:title>Approximate P-Values for Local Sequence Alignments: Numerical Studies.</opus:title>
<opus:pages>549-556</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#StoreyS01</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/EulensteinMV98">
<opus:last_modified_date>2003-06-30</opus:last_modified_date>
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<opus:title>Duplication-Based Measures of Difference Between Gene and Species Trees.</opus:title>
<opus:pages>135-148</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#EulensteinMV98</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/HorngHJWH02">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wu:Li=Cheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Huang:Shir=Ly.html" />
<opus:title>The Repetitive Sequence Database and Mining Putative Regulatory Elements in Gene Promoter Regions.</opus:title>
<opus:pages>621-640</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#HorngHJWH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/IdekerTSH00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thorsson:Vesteinn.html" />
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hood:Leroy_E=.html" />
<opus:title>Testing for Differentially-Expressed Genes by Maximum-Likelihood Analysis of Microarray Data.</opus:title>
<opus:pages>805-817</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#IdekerTSH00</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/DrasdoHL00">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hwa:Terence.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/L=auml=ssig:Michael.html" />
<opus:title>Scaling Laws and Similarity Detection in Sequence Alignment with Gaps.</opus:title>
<opus:pages>115-141</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#DrasdoHL00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/AgarwalS96">
<opus:last_modified_date>2002-10-18</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/States:David_J=.html" />
<opus:title>A Bayesian Evolutionary Distance for Parametrically Aligned Sequences.</opus:title>
<opus:pages>1-18</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#AgarwalS96</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Fickett95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fickett:James_W=.html" />
<opus:title>ORFs and Genes: How Strong a Connection?</opus:title>
<opus:pages>117-123</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#Fickett95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/RajasekaranJS02">
<opus:last_modified_date>2005-09-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rajasekaran:S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jin:X=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Spouge:John_L=.html" />
<opus:title>The Efficient Computation of Position-Specific Match Scores with the Fast Fourier Transform.</opus:title>
<opus:pages>23-33</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#RajasekaranJS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SteelF95">
<opus:last_modified_date>2004-11-17</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Steel:Mike_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fu:Y=_X=.html" />
<opus:title>Classifying and Counting Linear Phylogenetic Invariants for the Jukes-Cantor Model.</opus:title>
<opus:pages>39-47</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#SteelF95</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BarashF02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barash:Yoseph.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Friedman:Nir.html" />
<opus:title>Context-Specific Bayesian Clustering for Gene Expression Data.</opus:title>
<opus:pages>169-191</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#BarashF02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/RobinDRSS02">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Robin:St=eacute=phane.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Daudin:Jean=Jacques.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Richard:Hugues.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sagot:Marie=France.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schbath:Sophie.html" />
<opus:title>Occurrence Probability of Structured Motifs in Random Sequences.</opus:title>
<opus:pages>761-774</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#RobinDRSS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/YorkDN02">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/York:Thomas_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Durrett:Richard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nielsen:Rasmus.html" />
<opus:title>Bayesian Estimation of the Number of Inversions in the History of Two Chromosomes.</opus:title>
<opus:pages>805-818</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#YorkDN02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SinghTV96">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tropsha:Alexander.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vaisman:I=_I=.html" />
<opus:title>Delaunay Tessellation of Proteins: Four Body Nearest-Neighbor Propensities of Amino Acid Residues.</opus:title>
<opus:pages>213-222</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#SinghTV96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BaderMY01">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bader:David_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Moret:Bernard_M=_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yan:Mi.html" />
<opus:title>A Linear-Time Algorithm for Computing Inversion Distance between Signed Permutations with an Experimental Study.</opus:title>
<opus:pages>483-491</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#BaderMY01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/IstrailSK99">
<opus:last_modified_date>2002-08-05</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Istrail:Sorin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schwartz:Russell.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/King:Jonathan_A=.html" />
<opus:title>Lattice Simulations of Aggregation Funnels for Protein Folding.</opus:title>
<opus:pages>143-162</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#IstrailSK99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/RamenskyMRT00">
<opus:last_modified_date>2002-12-19</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ramensky:Vasily.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Makeev:Vsevolod.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roytberg:Mikhail_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tumanyan:Vladimir.html" />
<opus:title>DNA Segmentation Through the Bayesian Approach.</opus:title>
<opus:pages>215-231</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#RamenskyMRT00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/OliveiraBJDGC03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oliveira:Joseph_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bailey:Colin_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jones=Oliveira:Janet_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dixon:David_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gull:Dean_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chandler:Mary_L=.html" />
<opus:title>A Computational Model for the Identification of Biochemical Pathways in the Krebs Cycle.</opus:title>
<opus:pages>57-82</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb10.html#OliveiraBJDGC03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MoultonZSPP00">
<opus:last_modified_date>2004-11-17</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Moulton:Vincent.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zuker:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Steel:Mike_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pointon:Robin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Penny:David.html" />
<opus:title>Metrics on RNA Secondary Structures.</opus:title>
<opus:pages>277-292</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#MoultonZSPP00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ZhangSWM00">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Zheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schwartz:Scott.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wagner:Lukas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miller:Webb.html" />
<opus:title>A Greedy Algorithm for Aligning DNA Sequences.</opus:title>
<opus:pages>203-214</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#ZhangSWM00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/CoombesHKBSA02">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Coombes:Kevin_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Highsmith:W=_Edward.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Krogmann:Tammy_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baggerly:Keith_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stivers:David_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Abruzzo:Lynne_V=.html" />
<opus:title>Identifying and Quantifying Sources of Variation in Microarray Data Using High-Density cDNA Membrane Arrays.</opus:title>
<opus:pages>655-670</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#CoombesHKBSA02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/RiisK96">
<opus:last_modified_date>2005-12-30</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Riis:Soren_Kamaric.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Krogh:Anders.html" />
<opus:title>Improving Predicition of Protein Secondary Structure Using Structured Neural Networks and Multiple Sequence Alignments.</opus:title>
<opus:pages>163-184</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#RiisK96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/HolmesD98">
<opus:last_modified_date>2002-01-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Holmes:Ian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Durbin:Richard.html" />
<opus:title>Dynamic Programming Alignment Accuracy.</opus:title>
<opus:pages>493-504</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#HolmesD98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/XuXCE00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xu:Ying.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xu:Dong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Crawford:Oakley_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Einstein:J=_Ralph.html" />
<opus:title>A Computational Method for NMR-Constrained Protein Threading.</opus:title>
<opus:pages>449-467</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3-4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#XuXCE00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BensonS98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Benson:Gary.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Su:X=.html" />
<opus:title>On the Distribution of K-tuple Matches for Sequence Homology: A Constant Time Exact Calculation of the Variance.</opus:title>
<opus:pages>87-100</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#BensonS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LeibowitzNW01">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leibowitz:Nathaniel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nussinov:Ruth.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wolfson:Haim_J=.html" />
<opus:title>MUSTA - A General, Efficient, Automated Method for Multiple Structure Alignment and Detection of Common Motifs: Application to Proteins.</opus:title>
<opus:pages>93-121</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#LeibowitzNW01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MyersD03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Myers:Gene.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Durbin:Richard.html" />
<opus:title>A Table-Driven, Full-Sensitivity Similarity Search Algorithm.</opus:title>
<opus:pages>103-118</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb10.html#MyersD03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/RodolpheM00">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rodolphe:Fran=ccedil=ois.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Math=eacute=:Catherine.html" />
<opus:title>Translation Conditional Models for Protein Coding Sequences.</opus:title>
<opus:pages>249-260</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#RodolpheM00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ApostolicoB00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Apostolico:Alberto.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bejerano:Gill.html" />
<opus:title>Optimal Amnesic Probabilistic Automata or How to Learn and Classify Proteins in Linear Time and Space.</opus:title>
<opus:pages>381-393</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3-4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#ApostolicoB00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ApostolicoG98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Apostolico:Alberto.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Giancarlo:Raffaele.html" />
<opus:title>Seqeunce Alignment in Molecular Biology.</opus:title>
<opus:pages>173-196</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#ApostolicoG98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Willett99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Willett:Peter.html" />
<opus:title>Dissimilarity-Based Algorithms for Selecting Structurally Diverse Sets of Compounds.</opus:title>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#Willett99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LaubS98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Laub:M=_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:D=_W=.html" />
<opus:title>Finding Intron/Exon Splice Junctions Using INFO, Interruption Finder and Organizer.</opus:title>
<opus:pages>305-320</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#LaubS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BaldiC94">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baldi:Pierre.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chauvin:Yves.html" />
<opus:title>Hidden Markov Models of the G-Protein-Coupled Receptor Family.</opus:title>
<opus:pages>311-336</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>1</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb1.html#BaldiC94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/DesperJKMPS00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Desper:Richard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jiang:Feng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kallioniemi:Olli=P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Moch:Holger.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Papadimitriou:Christos_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sch=auml=ffer:Alejandro_A=.html" />
<opus:title>Distance-Based Reconstruction of Tree Models for Oncogenesis.</opus:title>
<opus:pages>789-803</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#DesperJKMPS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/DesperJKMPS99">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Desper:Richard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jiang:Feng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kallioniemi:Olli=P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Moch:Holger.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Papadimitriou:Christos_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sch=auml=ffer:Alejandro_A=.html" />
<opus:title>Inferring Tree Models for Oncogenesis from Comparative Genome Hybridization Data.</opus:title>
<opus:pages>37-52</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#DesperJKMPS99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/AmatoS02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Amato:Nancy_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Song:Guang.html" />
<opus:title>Using Motion Planning to Study Protein Folding Pathways.</opus:title>
<opus:pages>149-168</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#AmatoS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BlazewiczFKMW99">
<opus:last_modified_date>2005-07-01</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Blazewicz:Jacek.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Formanowicz:Piotr.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kasprzak:Marta.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Markiewicz:Wojciech_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weglarz:Jan.html" />
<opus:title>DNA Sequencing With Positive and Negative Errors.</opus:title>
<opus:pages>113-124</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#BlazewiczFKMW99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ArratiaMRW96">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Arratia:Richard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Martin:D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reinert:Gesine.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Waterman:Michael_S=.html" />
<opus:title>Poisson Process Approximation for Sequence Repeats and Sequencing by Hybridization.</opus:title>
<opus:pages>425</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#ArratiaMRW96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Lathrop99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lathrop:Richard_H=.html" />
<opus:title>&lt;sup&gt;2&lt;/sup&gt;&lt;sup&gt;2&lt;/sup&gt;) Space.</opus:title>
<opus:pages>405-418</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#Lathrop99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Wareham95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wareham:Harold_T=.html" />
<opus:title>A Simplified Proof of the NP- and MAX SNP-Hardness of Multiple Sequence Tree Alignment.</opus:title>
<opus:pages>509-514</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#Wareham95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/TheilhaberBJF01">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Theilhaber:Joachim.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bushnell:Steven.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jackson:Amanda.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fuchs:Rainer.html" />
<opus:title>Bayesian Estimation of Fold-Changes in the Analysis of Gene Expression: The PFOLD Algorithm.</opus:title>
<opus:pages>585-614</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#TheilhaberBJF01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BrazmaJEG98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brazma:Alvis.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jonassen:Inge.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eidhammer:Ingvar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gilbert:David.html" />
<opus:title>Approaches to the Automatic Discovery of Patterns in Biosequences.</opus:title>
<opus:pages>277-304</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#BrazmaJEG98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LeeDW98">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Jae_Kyu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Danc=iacute=k:Vlado.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Waterman:Michael_S=.html" />
<opus:title>Estimation for Restriction Sites Observed by Optical Mapping Using Reversible-Jump Markov Chain Monte Carlo</opus:title>
<opus:pages>505-516</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#LeeDW98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Taylor94">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Taylor:William_R=.html" />
<opus:title>Motif-Biased Protein Sequence Alignment.</opus:title>
<opus:pages>297-310</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>1</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb1.html#Taylor94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ChewHKK99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chew:L=_Paul.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Huttenlocher:Daniel_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kedem:Klara.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kleinberg:Jon_M=.html" />
<opus:title>Fast Detection of Common Geometric Substructure in Proteins.</opus:title>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#ChewHKK99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/GriffithsM96">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Griffiths:R=_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Marjoram:P=.html" />
<opus:title>Ancestral Inference from Samples of DNA Sequences with Recombination.</opus:title>
<opus:pages>479-502</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#GriffithsM96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/DonigerHY02">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Doniger:Scott.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hofmann:Thomas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yeh:Miao=Hui_Joanne.html" />
<opus:title>Predicting CNS Permeability of Drug Molecules: Comparison of Neural Network and Support Vector Machine Algorithms.</opus:title>
<opus:pages>849</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#DonigerHY02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MuggletonBSWTR01">
<opus:last_modified_date>2006-10-23</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Muggleton:Stephen.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bryant:Christopher_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Srinivasan:Ashwin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Whittaker:Alex.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Topp:Simon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rawlings:Christopher_J=.html" />
<opus:title>Are Grammatical Representations Useful for Learning from Biological Sequence Data? - A Case Study.</opus:title>
<opus:pages>493-521</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#MuggletonBSWTR01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/GreenbergI95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Greenberg:David_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Istrail:Sorin.html" />
<opus:title>Physical Mapping by STS Hybridization: Algorithmic Strategies and the Challenge of Software Evaluation.</opus:title>
<opus:pages>219-273</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#GreenbergI95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/KerrMC00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kerr:M=_Kathleen.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Martin:Mitchell.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Churchill:Gary_A=.html" />
<opus:title>Analysis of Variance for Gene Expression Microarray Data.</opus:title>
<opus:pages>819-837</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#KerrMC00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/McGuireWP00">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McGuire:Gr=aacute=inne.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wright:Frank.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Prentice:Michael_J=.html" />
<opus:title>A Bayesian Model for Detecting Past Recombination Events in DNA Multiple Alignments.</opus:title>
<opus:pages>159-170</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#McGuireWP00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BenahabilesGTB98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Benahabiles:N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gallet:X=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thomas=Soumarmon:A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brasseur:R=.html" />
<opus:title>A Descriptive Analysis of Populations of Three-Dimemsional Structures Calculated from Primary Sequences of Proteins by Osiris.</opus:title>
<opus:pages>349-</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#BenahabilesGTB98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/RevaRFS98">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reva:Boris_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rykunov:Dmitrii_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Finkelstein:Alexei_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Skolnick:Jeffrey.html" />
<opus:title>Optimization of Protein Structure on Lattices Using a Self-Consistent Field Approach.</opus:title>
<opus:pages>531-538</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#RevaRFS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/RevaROF95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reva:Boris_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rykunov:Dmitrii_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Olson:Arthur_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Finkelstein:Alexei_V=.html" />
<opus:title>Constructing Lattice Models of Protein Chains with Side Groups.</opus:title>
<opus:pages>527-535</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#RevaROF95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Hubbell01">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hubbell:Earl.html" />
<opus:title>Multiplex Sequencing by Hybridization.</opus:title>
<opus:pages>141-149</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#Hubbell01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ReinertS98">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reinert:Gesine.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schbath:Sophie.html" />
<opus:title>Compound Poisson and Poisson Process Approximations for Occurrences of Multiple Words in Markov Chains.</opus:title>
<opus:pages>223-254</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#ReinertS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/FeketeHS00">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fekete:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hofacker:Ivo_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stadler:Peter_F=.html" />
<opus:title>Prediction of RNA Base Pairing Probabilities on Massively Parallel Computers.</opus:title>
<opus:pages>171-182</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#FeketeHS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ClarkLSW03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Clark:Terry_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Sanggyu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scott:L=_Ridgway.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:San_Ming.html" />
<opus:title>Computational Analysis of Gene Identification with SAGE.</opus:title>
<opus:pages>513-526</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#ClarkLSW03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Kruglyak98">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kruglyak:Semyon.html" />
<opus:title>Multistage Sequencing by Hybridization.</opus:title>
<opus:pages>165-</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#Kruglyak98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Ben-DorC97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Ben=Dor:Amir.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chor:Benny.html" />
<opus:title>On Constructing Radiation Hybrid Maps.</opus:title>
<opus:pages>517-534</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#Ben-DorC97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BergerHPS99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berger:Bonnie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hoest:G=_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Paulson:J=_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shor:Peter_W=.html" />
<opus:title>On the Structure of the Scaffolding Core of Bacteriophage T4.</opus:title>
<opus:pages>1-12</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#BergerHPS99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ThayerBB00">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thayer:Edward_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bystroff:Chris.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baker:David.html" />
<opus:title>Detection of Protein Coding Sequences Using a Mixture Model for Local Protein Amino Acid Sequence.</opus:title>
<opus:pages>317-327</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#ThayerBB00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MirkinMS95">
<opus:last_modified_date>2005-03-10</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mirkin:Boris.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Muchnik:Ilya_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:Temple_F=.html" />
<opus:title>A Biologically Consistent Model for Comparing Molecular Phylogenies.</opus:title>
<opus:pages>493-507</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#MirkinMS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LinMT01">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lin:Kuang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/May:Alex_C=_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Taylor:William_R=.html" />
<opus:title>Amino Acid Substitution Matrices from an Artificial Neural Network Model.</opus:title>
<opus:pages>471-481</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#LinMT01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/WorleyKCMS95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Worley:K=_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/King:K=_Y=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chua:S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McCabe:E=_R=_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:R=_F=.html" />
<opus:title>Identification of New Members of a Carbohydrate Kinase-Encoding Gene Family.</opus:title>
<opus:pages>451-458</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#WorleyKCMS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/RazgulyaevRGC95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Razgulyaev:Oleg.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rubinov:Anatoly_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gelfand:Mikhail_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chetverin:Alexander.html" />
<opus:title>Sequencing Potential of Nested Strand Hybridization.</opus:title>
<opus:pages>383-395</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#RazgulyaevRGC95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ZhaoL01">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhao:Hongyu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liang:Feng.html" />
<opus:title>On Relationship Inference Using Gamete Identity by Descent Data.</opus:title>
<opus:pages>191-200</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#ZhaoL01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Zhang03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Jian.html" />
<opus:title>Analysis of Information Content for Biological Sequences.</opus:title>
<opus:pages>487-504</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#Zhang03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Zhang97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:L=.html" />
<opus:title>On a Mirkin-Muchnik-Smith Conjecture for Comparing Molecular Phylogenies.</opus:title>
<opus:pages>177-188</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#Zhang97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Elhai01">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Elhai:Jeff.html" />
<opus:title>Determination of Bias in the Relative Abundance of Oligonucleotides in DNA Sequences.</opus:title>
<opus:pages>151-175</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#Elhai01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SlonimKSL97">
<opus:last_modified_date>2003-09-04</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Slonim:Donna_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kruglyak:Leonid.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stein:Lincoln.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lander:Eric_S=.html" />
<opus:title>Building Human Genome Maps with Radiation Hybrids.</opus:title>
<opus:pages>487-504</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#SlonimKSL97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ShenYYH03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shen:Shi=Yi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yang:Jun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yao:Adam.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hwang:Pei=Ing.html" />
<opus:title>Super Pairwise Alignment (SPA): An Efficient Approach to Global Alignment for Homologous Sequences.</opus:title>
<opus:pages>477-486</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#ShenYYH03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BlanchetteST02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Blanchette:Mathieu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schwikowski:Benno.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tompa:Martin.html" />
<opus:title>Algorithms for Phylogenetic Footprinting.</opus:title>
<opus:pages>211-223</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#BlanchetteST02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/KosarajuSB98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kosaraju:S=_Rao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sch=auml=ffer:Alejandro_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Biesecker:Leslie_G=.html" />
<opus:title>Approximation Algorithms for a Genetic Diagnostics Problem.</opus:title>
<opus:pages>9-26</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#KosarajuSB98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Shamir00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shamir:Ron.html" />
<opus:title>Preface: Special RECOMB 2000 Issue.</opus:title>
<opus:pages>329-330</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3-4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#Shamir00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/EddyMD95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eddy:Sean_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mitchison:Graeme_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Durbin:Richard.html" />
<opus:title>Maximum Discrimination Hidden Markov Models of Sequence Consensus.</opus:title>
<opus:pages>9-23</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#EddyMD95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SunBAW97">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sun:Fengzhu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Benson:Gary.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Arnheim:Norman.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Waterman:Michael_S=.html" />
<opus:title>Pooling Strategies for Establishing Physical Genome Maps Using FISH.</opus:title>
<opus:pages>467-486</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#SunBAW97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SorensonH00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sorenson:Jon_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Head=Gordon:Teresa.html" />
<opus:title>Matching Simulation and Experiment: A New Simplified Model for Simulating Protein Folding.</opus:title>
<opus:pages>469-481</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3-4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#SorensonH00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SorensonH02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sorenson:Jon_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Head=Gordon:Teresa.html" />
<opus:title>Protein Engineering Study of Protein L by Simulation.</opus:title>
<opus:pages>35-54</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#SorensonH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Markowitz95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Markowitz:Victor_M=.html" />
<opus:title>Heterogeneous Molecular Biology Databases.</opus:title>
<opus:pages>537-538</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#Markowitz95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LermenR00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lermen:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reinert:Knut.html" />
<opus:title>The Practical Use of the A* Algorithm for Exact Multiple Sequence Alignment.</opus:title>
<opus:pages>655-671</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#LermenR00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SchwartzHBCI03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schwartz:Russell.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Halld=oacute=rsson:Bjarni_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bafna:Vineet.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Clark:Andrew_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Istrail:Sorin.html" />
<opus:title>Robustness of Inference of Haplotype Block Structure.</opus:title>
<opus:pages>13-20</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb10.html#SchwartzHBCI03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Robbins96">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Robbins:R=_J=.html" />
<opus:title>Bioinformatics: Essential Infrastructure for Global Biology.</opus:title>
<opus:pages>465-</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#Robbins96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SiegelRE98">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roach:J=_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Engh:G=_Van_Den.html" />
<opus:title>Expectation and Variance of True and False Fragment Matches in DNA Restriction Mapping.</opus:title>
<opus:pages>101-112</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#SiegelRE98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SunSZC95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sun:Jian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Song:Wen=Yuan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhu:Li=Huang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Run=Sheng.html" />
<opus:title>Analysis of tRNA Gene Sequences by Neural Network.</opus:title>
<opus:pages>409-416</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#SunSZC95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SchierwaterMKS96">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Metzler:D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kruger:K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Streit:B=.html" />
<opus:title>The Effects of Nested Primer Bindingg Sites on the Reproducibility of PCR: Mathematical Modeling and Simulation Studies.</opus:title>
<opus:pages>235-252</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#SchierwaterMKS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/PevznerDT00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Danc=iacute=k:Vlado.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tang:Chris_L=.html" />
<opus:title>Mutation-Tolerant Protein Identification by Mass Spectrometry.</opus:title>
<opus:pages>777-787</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#PevznerDT00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ChenKTRC01">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Ting.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kao:Ming=Yang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tepel:Matthew.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rush:John.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Church:George_M=.html" />
<opus:title>A Dynamic Programming Approach to De Novo Peptide Sequencing via Tandem Mass Spectrometry.</opus:title>
<opus:pages>325-337</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#ChenKTRC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SchwikowskiV97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schwikowski:Benno.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vingron:Martin.html" />
<opus:title>The Deferred Path Heuristic for the Generalized Tree Alignment Problem.</opus:title>
<opus:pages>415-431</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#SchwikowskiV97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/NarasimhanBGWXM02">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Narasimhan:Giri.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bu:Changsong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gao:Yuan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Xuning.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xu:Ning.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mathee:Kalai.html" />
<opus:title>Mining Protein Sequences for Motifs.</opus:title>
<opus:pages>707-720</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#NarasimhanBGWXM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Kearney97">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kearney:Paul_E=.html" />
<opus:title>A Six-Point Condition for Ordinal Matrices.</opus:title>
<opus:pages>143-156</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#Kearney97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/HendyP96">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hendy:Michael_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Penny:David.html" />
<opus:title>Complete Families of Linear Invariants for Some Stochastic Models of Sequence Evolution, with and without Molecular Clock Assumption.</opus:title>
<opus:pages>19-32</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#HendyP96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ChattopadhyayC03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chakrabarti:Jayprokas.html" />
<opus:title>Temporal Changes in Phosphoglycerate Kinase Coding Sequences: A Quantitative Measure.</opus:title>
<opus:pages>83-94</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb10.html#ChattopadhyayC03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SungZMS03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sung:Myong=Hee.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhao:Yingdong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Martin:Roland.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Simon:Richard.html" />
<opus:title>T-Cell Epitope Prediction with Combinatorial Peptide Libraries.</opus:title>
<opus:pages>527-540</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#SungZMS03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SagotM98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sagot:Marie=France.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Myers:Eugene_W=.html" />
<opus:title>Identifying Satellites and Periodic Repetitions in Biological Sequences.</opus:title>
<opus:pages>539-554</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#SagotM98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/DancikACVP99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Danc=iacute=k:Vlado.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Addona:Theresa_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Clauser:Karl_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vath:James_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pevzner:Pavel_A=.html" />
<opus:title>De Novo Peptide Sequencing via Tandem Mass Spectrometry.</opus:title>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#DancikACVP99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/WeissH95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weiss:Gunter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Haeseler:Arndt_von.html" />
<opus:title>Modeling the Polymerase Chain Reaction.</opus:title>
<opus:pages>49-61</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#WeissH95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Milosavljevic95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Milosavljevic:Aleksandar.html" />
<opus:title>DNA Sequence Recognition by Hybridization to Short Oligomers.</opus:title>
<opus:pages>355-370</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#Milosavljevic95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/FriezeH02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Frieze:Alan_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Halld=oacute=rsson:Bjarni_V=.html" />
<opus:title>Optimal Sequencing by Hybridization in Rounds.</opus:title>
<opus:pages>355-369</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#FriezeH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MillerP94">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miller:M=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Powell:J=_I=.html" />
<opus:title>A Quantitative Comparison of DNA Sequence Assembly Programs.</opus:title>
<opus:pages>257-270</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>1</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb1.html#MillerP94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MianD00">
<opus:last_modified_date>2002-06-19</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mian:I=_Saira.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dubchak:Inna.html" />
<opus:title>Representing and Reasoning about Protein Families Using Generative and Discriminative Methods.</opus:title>
<opus:pages>849-862</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#MianD00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/RoweisWBCGRA98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roweis:Sam_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Winfree:Erik.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Burgoyne:Richard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chelyapov:Nickolas_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Goodman:Myron_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rothemund:Paul_W=_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Adleman:Leonard_M=.html" />
<opus:title>A Sticker-Based Model for DNA Computation.</opus:title>
<opus:pages>615-630</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#RoweisWBCGRA98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ChurchillL99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Churchill:Gary_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lazareva:B=.html" />
<opus:title>Bayesian Restoration of a Hidden Markov Chain with Applications to DNA Sequencing.</opus:title>
<opus:pages>261-</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#ChurchillL99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/HaeselerS98">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Haeseler:Arndt_von.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schoniger:M=.html" />
<opus:title>Evolution of DNA or Amino Acid Sequences with Dependent Sites.</opus:title>
<opus:pages>149-164</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#HaeselerS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/AdlemanRRW99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Adleman:Leonard_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rothemund:Paul_W=_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roweis:Sam_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Winfree:Erik.html" />
<opus:title>On Applying Molecular Computation to the Data Encryption Standard.</opus:title>
<opus:pages>53-64</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#AdlemanRRW99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/RoweisW99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roweis:Sam_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Winfree:Erik.html" />
<opus:title>On the Reduction of Errors in DNA Computation.</opus:title>
<opus:pages>65-76</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#RoweisW99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/KimDBCBT02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kim:Seungchan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dougherty:Edward_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barrera:Junior.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Yidong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bittner:Michael_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Trent:Jeffrey_M=.html" />
<opus:title>Strong Feature Sets from Small Samples.</opus:title>
<opus:pages>127-146</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#KimDBCBT02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/TanushevA97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Arratia:Richard.html" />
<opus:title>Central Limit Theorem from Renewal Theory for Several Patterns.</opus:title>
<opus:pages>35-44</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#TanushevA97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/DevauchelleGHHMRT02">
<opus:last_modified_date>2006-06-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Devauchelle:Claudine.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grossmann:Alex.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/H=eacute=naut:Alain.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Holschneider:M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Monnerot:M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Risler:Jean=Loup.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Torr=eacute=sani:Bruno.html" />
<opus:title>Rate Matrices for Analyzing Large Families of Protein Sequences.</opus:title>
<opus:pages>381-399</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#DevauchelleGHHMRT02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/KooperbergFDT02">
<opus:last_modified_date>2006-05-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kooperberg:Charles_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fazzio:Thomas_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Delrow:Jeffrey_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tsukiyama:Toshio.html" />
<opus:title>Improved Background Correction for Spotted DNA Microarrays.</opus:title>
<opus:pages>55-66</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#KooperbergFDT02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Istrail99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Istrail:Sorin.html" />
<opus:title>Preface: Special RECOMB&apos;99 Issue.</opus:title>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#Istrail99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SalzbergDFH98">
<opus:last_modified_date>2002-10-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Salzberg:Steven.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Delcher:Arthur_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fasman:Kenneth_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Henderson:John.html" />
<opus:title>A Decision Tree System for Finding Genes in DNA.</opus:title>
<opus:pages>667-680</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#SalzbergDFH98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SiegelRMTE98">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Siegel:Andrew_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roach:J=_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Magness:C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thayer:Edward_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Engh:G=_Van_Den.html" />
<opus:title>Optimization of Restriction Fragment DNA Mapping.</opus:title>
<opus:pages>113-126</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#SiegelRMTE98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Charleston01">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Charleston:Michael_A=.html" />
<opus:title>Hitch-Hiking: A Parallel Heuristic Search Strategy, Applied to the Phylogeny Problem.</opus:title>
<opus:pages>79-91</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#Charleston01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Charleston95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Charleston:Michael_A=.html" />
<opus:title>Toward a Characterization of Landscapes of Combinatorial Optimization Problems, with Special Attention to the Phylogeny Problem.</opus:title>
<opus:pages>439-450</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#Charleston95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/AgarwalaFS95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Agarwala:Richa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fern=aacute=ndez=Baca:David.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Slutzki:Giora.html" />
<opus:title>Fast Algorithms for Inferring Evolutionary Trees.</opus:title>
<opus:pages>397-407</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#AgarwalaFS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/NaorB94">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Naor:Dalit.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brutlag:Douglas_L=.html" />
<opus:title>On Near-Optimal Alignments of Biological Sequences.</opus:title>
<opus:pages>349-</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>1</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb1.html#NaorB94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Przytycha98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Przytycha:T=_M=.html" />
<opus:title>Transforming Rooted Agreement into Unrooted Agreement.</opus:title>
<opus:pages>333-348</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#Przytycha98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/KochLW96">
<opus:last_modified_date>2002-11-14</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Koch:Ina.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lengauer:Thomas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wanke:Egon.html" />
<opus:title>An Algorithm for Finding Maximal Common Subtopologies in a Set of Protein Structures.</opus:title>
<opus:pages>289-306</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#KochLW96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SalamonTRT96">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Salamon:H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tarhio:Jorma.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/R=oslash=nningen:K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thomson:G=.html" />
<opus:title>On Distinguishing Unique Combinations in Biological Sequences.</opus:title>
<opus:pages>407-424</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#SalamonTRT96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/TeitelmanE96">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Teitelman:M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eeckman:Frank_H=.html" />
<opus:title>Principal Component Analysis and Large-Scale Correlations in Non-Coding Sequences of Human DNA.</opus:title>
<opus:pages>573-</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#TeitelmanE96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SmithCBGRL97">
<opus:last_modified_date>2005-05-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:Temple_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Conte:Loredana_Lo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bienkowska:Jadwiga_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gaitatzes:Chrysanthe.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rogers:Robert_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lathrop:Richard_H=.html" />
<opus:title>Current Limitations to Protein Threading Approaches.</opus:title>
<opus:pages>217-226</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#SmithCBGRL97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/PonomarenkoKK97">
<opus:last_modified_date>2004-04-30</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Ponomarenko:Mikhail_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kolchanova:A=_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kolchanov:Nikolay_A=.html" />
<opus:title>Generating Programs for Predicting the Activity of Functional Sites.</opus:title>
<opus:pages>83-</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#PonomarenkoKK97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Kleinberg99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kleinberg:Jon_M=.html" />
<opus:title>Efficient Algorithms for Protein Sequence Design and the Analysis of Certain Evolutionary Fitness Landscapes.</opus:title>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#Kleinberg99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/PachterAC02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pachter:Lior.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alexandersson:Marina.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cawley:Simon.html" />
<opus:title>Applications of Generalized Pair Hidden Markov Models to Alignment and Gene Finding Problems.</opus:title>
<opus:pages>389-399</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#PachterAC02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Nebel03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nebel:Markus_E=.html" />
<opus:title>Combinatorial Properties of RNA Secondary Structures.</opus:title>
<opus:pages>541-574</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#Nebel03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MercatantiRMMC02">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mercatanti:Alberto.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rainaldi:Giuseppe.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mariani:Laura.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Marangoni:Roberto.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Citti:Lorenzo.html" />
<opus:title>A Method for Prediction of Accessible Sites on an mRNA Sequence for Target Selection of Hammerhead Ribozymes.</opus:title>
<opus:pages>641-654</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#MercatantiRMMC02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Meyers96">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Meyers:E=_W=.html" />
<opus:title>Approximate Matching of Network Expressions with Spacers.</opus:title>
<opus:pages>33-52</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#Meyers96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/WolfingerGWBHBAP01">
<opus:last_modified_date>2002-07-15</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wolfinger:Russell_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gibson:Greg.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wolfinger:Elizabeth_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bennett:Lee.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hamadeh:Hisham.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bushel:Pierre_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Afshari:Cynthia_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Paules:Richard_S=.html" />
<opus:title>Assessing Gene Significance from cDNA Microarray Expression Data via Mixed Models.</opus:title>
<opus:pages>625-637</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#WolfingerGWBHBAP01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MottT99">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mott:Richard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tribe:R=.html" />
<opus:title>Approximate Statistics of Gapped Alignments.</opus:title>
<opus:pages>91-112</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#MottT99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/TsangS96">
<opus:last_modified_date>2004-01-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tsang:S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jr=:Milton_H=_Saier.html" />
<opus:title>A Simple Flexible Program for the Computational Analysis of Amyl Acyl Residue Distribution in Proteins: Application to the Distribution of Aromatic versus Aliphatic Hydrophobic Amino Acids in Transmembrane alpha-Helical Spanners of Integral Membrane Transport Proteins.</opus:title>
<opus:pages>185-190</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#TsangS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Gelfand95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gelfand:Mikhail_S=.html" />
<opus:title>Prediction of Function in DNA Sequence.</opus:title>
<opus:pages>87-115</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#Gelfand95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ReeseEKH97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reese:Martin_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eeckman:Frank_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kulp:David.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Haussler:David.html" />
<opus:title>Improved Splice Site Detection in Genie.</opus:title>
<opus:pages>311-324</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#ReeseEKH97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Csuros02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cs=uuml=r=ouml=s:Mikl=oacute=s.html" />
<opus:title>Fast Recovery of Evolutionary Trees with Thousands of Nodes.</opus:title>
<opus:pages>277-297</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#Csuros02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/DillPR97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dill:Ken_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Phillips:Andrew_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rosen:J=_Ben.html" />
<opus:title>Protein Structure and Energy Landscape Dependence on Sequence Using a Continuous Energy Function.</opus:title>
<opus:pages>227-240</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#DillPR97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/CawleyS00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cawley:Simon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Speed:Terence_P=.html" />
<opus:title>DNA Sequencing with Transposons.</opus:title>
<opus:pages>717-729</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#CawleyS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/HochbaumP97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hochbaum:Dorit_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pathria:Anu.html" />
<opus:title>Path Costs in Evolutionary Tree Reconstruction.</opus:title>
<opus:pages>163-176</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#HochbaumP97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BienkowskaRS99">
<opus:last_modified_date>2005-05-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bienkowska:Jadwiga_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rogers:Robert_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:Temple_F=.html" />
<opus:title>Performance of Threading Scoring Functions Designed Using New Optimization Method.</opus:title>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#BienkowskaRS99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Gusfield01">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gusfield:Dan.html" />
<opus:title>Inference of Haplotypes from Samples of Diploid Populations: Complexity and Algorithms.</opus:title>
<opus:pages>305-323</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#Gusfield01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/PreparataU00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Preparata:Franco_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Upfal:Eli.html" />
<opus:title>Sequencing-by-Hybridization at the Information-Theory Bound: An Optimal Algorithm.</opus:title>
<opus:pages>621-630</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3-4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#PreparataU00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/WalkerGL98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Walker:Wynn_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Goodsell:David_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Landaw:Elliot_M=.html" />
<opus:title>An Analysis of a Class of DNA Sequence Reading Molecules.</opus:title>
<opus:pages>571-584</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#WalkerGL98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BergerL98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berger:Bonnie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leighton:Frank_Thomson.html" />
<opus:title>Protein Folding in the Hydrophobic-Hydrophilic(HP) Model is NP-Complete.</opus:title>
<opus:pages>27-40</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#BergerL98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BergerS97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berger:Bonnie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Singh:Mona.html" />
<opus:title>An Iterative Method for Improved Protein Structural Motif Recognition.</opus:title>
<opus:pages>261-274</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#BergerS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/AnsonM97">
<opus:last_modified_date>2005-05-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Anson:Eric_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Myers:Eugene_W=.html" />
<opus:title>ReAligner: A Program for Refining DNA Sequence Multi-Alignments.</opus:title>
<opus:pages>369-384</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#AnsonM97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BerloffPL03">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berloff:Natalia.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Perola:Markus.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lange:Kenneth.html" />
<opus:title>Spline Methods for the Comparison of Physical and Genetic Maps.</opus:title>
<opus:pages>465-476</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#BerloffPL03</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SkienaS95">
<opus:last_modified_date>2003-09-15</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Skiena:Steven.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sundaram:Gopalakrishnan.html" />
<opus:title>Reconstructing Strings from Substrings.</opus:title>
<opus:pages>333-353</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#SkienaS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Lengauer02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lengauer:Thomas.html" />
<opus:title>Preface: Special RECOMB 2001 Issue.</opus:title>
<opus:pages>147-148</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#Lengauer02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MarsanS00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Marsan:Laurent.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sagot:Marie=France.html" />
<opus:title>Algorithms for Extracting Structured Motifs Using a Suffix Tree with an Application to Promoter and Regulatory Site Consensus Identification.</opus:title>
<opus:pages>345-362</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3-4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#MarsanS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MayrazS99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mayraz:Guy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shamir:Ron.html" />
<opus:title>Construction of Physical Maps from Oligonucleotide Fingerprints Data.</opus:title>
<opus:pages>237-252</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#MayrazS99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/HartI96">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hart:William_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Istrail:Sorin.html" />
<opus:title>Fast Protein Folding in the Hydrophobic-Hydrophillic Model within Three-Eights of Optimal.</opus:title>
<opus:pages>53-96</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>3</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb3.html#HartI96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/HartI97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hart:William_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Istrail:Sorin.html" />
<opus:title>Lattice and Off-Lattice Side Chain Models of Protein Folding: Linear Time Structure Prediction Better than 86% of Optimal.</opus:title>
<opus:pages>241-260</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#HartI97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/FaulhammerLL00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lipton:Richard_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Landweber:Laura_F=.html" />
<opus:title>Fidelity of Enzymatic Ligation for DNA Computing.</opus:title>
<opus:pages>839-848</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#FaulhammerLL00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LoewensternY99">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yianilos:Peter_N=.html" />
<opus:title>Significantly Lower Entropy Estimates for Natural DNA Sequences.</opus:title>
<opus:pages>125-</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#LoewensternY99</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Schbath00">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schbath:Sophie.html" />
<opus:title>An Overview on the Distribution of Word Counts in Markov Chains.</opus:title>
<opus:pages>193-201</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#Schbath00</rdfs:seeAlso>
</opus:Article>

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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schbath:Sophie.html" />
<opus:title>Coverage Processes in Physical Mapping by Anchoring Random Clones.</opus:title>
<opus:pages>61-82</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#Schbath97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/WangZCS00">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhao:Cheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cheng:Rong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sun:Fengzhu.html" />
<opus:title>Estimation of the Mutation Rate During Error-prone Polymerase Chain Reaction.</opus:title>
<opus:pages>143-158</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1-2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#WangZCS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/GoldbergGKS95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Goldberg:Paul_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Golumbic:Martin_Charles.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kaplan:Haim.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shamir:Ron.html" />
<opus:title>Four Strikes Against Physical Mapping of DNA.</opus:title>
<opus:pages>139-152</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#GoldbergGKS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/FriezePU99">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Frieze:Alan_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Preparata:Franco_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Upfal:Eli.html" />
<opus:title>Optimal Reconstruction of a Sequence from its Probes.</opus:title>
<opus:year>1999</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb6.html#FriezePU99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LjungbergHC02">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Holmgren:Sverker.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carlborg:=Ouml=rjan.html" />
<opus:title>Efficient Algorithms for Quantitative Trait Loci Mapping Problems.</opus:title>
<opus:pages>793-804</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#LjungbergHC02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/AgarwalaBDDHFMS97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Agarwala:Richa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Batzoglou:Serafim.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Danc=iacute=k:Vlado.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Decatur:Scott_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hannenhalli:Sridhar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Farach:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Muthukrishnan:S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Skiena:Steven.html" />
<opus:title>Local Rules for Protein Folding on a Triangular Lattice and Generalized Hydrophobicity in the HP Model.</opus:title>
<opus:pages>275-296</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#AgarwalaBDDHFMS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SpangRS02">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Spang:Rainer.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rehmsmeier:Marc.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stoye:Jens.html" />
<opus:title>A Novel Approach to Remote Homology Detection: Jumping Alignments.</opus:title>
<opus:pages>747-760</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#SpangRS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LiuFTCS98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Qinghua.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Frutos:Tony.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thiel:Andrew.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Corn:Robert_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:Lloyd_M=.html" />
<opus:title>DNA Computing on Surfaces: Encoding Information at the Single Base Level.</opus:title>
<opus:pages>267-276</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#LiuFTCS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/PavlidisWCN02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pavlidis:Paul.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weston:Jason.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cai:Jinsong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Noble:William_Stafford.html" />
<opus:title>Learning Gene Functional Classifications from Multiple Data Types.</opus:title>
<opus:pages>401-411</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#PavlidisWCN02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Myers95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Myers:Eugene_W=.html" />
<opus:title>Toward Simplifying and Accurately Formulating Fragment Assembly.</opus:title>
<opus:pages>275-290</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#Myers95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Mallios98">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mallios:R=_R=.html" />
<opus:title>Iterative Stepwise Discriminant Analysis: A Meta-Algorithm for Detecting Quantitative Sequence Motifs.</opus:title>
<opus:pages>703-712</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#Mallios98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Heath97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Heath:S=_C=.html" />
<opus:title>Markov Chain Monte Carlo Methods for Radiation Hybrid Mapping.</opus:title>
<opus:pages>505-516</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#Heath97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BaggerlyCHSAZ01">
<opus:last_modified_date>2002-06-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baggerly:Keith_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Coombes:Kevin_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hess:Kenneth_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stivers:David_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Abruzzo:Lynne_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Wei.html" />
<opus:title>Identifying Differentially Expressed Genes in cDNA Microarray Experiments.</opus:title>
<opus:pages>639-659</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#BaggerlyCHSAZ01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Beaver95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Beaver:Donald.html" />
<opus:title>Computing with DNA.</opus:title>
<opus:pages>1-7</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#Beaver95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/RubinovG95">
<opus:last_modified_date>2003-06-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rubinov:Anatoly_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gelfand:Mikhail_S=.html" />
<opus:title>Reconstruction of a String from Substring Precedence Data.</opus:title>
<opus:pages>371-381</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>2</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb2.html#RubinovG95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ThijsMLRMRM02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thijs:Gert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Marchal:Kathleen.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lescot:Magali.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rombauts:Stephane.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Moor:Bart_De.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rouz=eacute=:Pierre.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Moreau:Yves.html" />
<opus:title>A Gibbs Sampling Method to Detect Overrepresented Motifs in the Upstream Regions of Coexpressed Genes.</opus:title>
<opus:pages>447-464</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#ThijsMLRMRM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/JiangLMZ02">
<opus:last_modified_date>2005-05-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jiang:Tao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lin:Guohui.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Ma:Bin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Kaizhong.html" />
<opus:title>A General Edit Distance between RNA Structures.</opus:title>
<opus:pages>371-388</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#JiangLMZ02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Farach97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Farach:Martin.html" />
<opus:title>Recognizing Circular Decompossible Metrics.</opus:title>
<opus:pages>157-162</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#Farach97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/KarpPS00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karp:Richard_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pe=er:Itsik.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shamir:Ron.html" />
<opus:title>An Algorithm Combining Discrete and Continuous Methods for Optical Mapping.</opus:title>
<opus:pages>745-760</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#KarpPS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/VingronH97">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Haeseler:Arndt_von.html" />
<opus:title>Towards Integration of Multiple Alignment and Phylogenetic Tree Construction.</opus:title>
<opus:pages>23-34</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#VingronH97</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Liben-Nowell01">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liben=Nowell:David.html" />
<opus:title>On the Structure of Syntenic Distance.</opus:title>
<opus:pages>53-67</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb8.html#Liben-Nowell01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/SenguptaT02">
<opus:last_modified_date>2002-06-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sengupta:Rimli.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tompa:Martin.html" />
<opus:title>Quality Control in Manufacturing Oligo Arrays: A Combinatorial Design Approach.</opus:title>
<opus:pages>1-22</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb9.html#SenguptaT02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ChaoHM94">
<opus:last_modified_date>2003-11-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chao:Kun=Mao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hardison:Ross_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miller:Webb.html" />
<opus:title>Recent Developments in Linear-Space Alignment Methods: A Survey.</opus:title>
<opus:pages>271-292</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>1</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb1.html#ChaoHM94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/MullerV00">
<opus:last_modified_date>2002-06-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/M=uuml=ller:Tobias.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vingron:Martin.html" />
<opus:title>Modeling Amino Acid Replacement.</opus:title>
<opus:pages>761-776</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb7.html#MullerV00</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Browning:S=.html" />
<opus:title>Relationship Information Contained in Gamete Identiti by Descent Data.</opus:title>
<opus:pages>321-332</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>5</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb5.html#Browning98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/ShibuyaI97">
<opus:last_modified_date>2002-01-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shibuya:Tetsuo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Imai:Hiroshi.html" />
<opus:title>New Flexible Approaches for Multiple Sequence Alignment.</opus:title>
<opus:pages>385-414</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>4</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb4.html#ShibuyaI97</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2004-09-13</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Heath:Samuel_A=.html" />
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<opus:title>Sequencing by Hybridization by Cooperating Direct and Reverse Spectra.</opus:title>
<opus:pages>499-508</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
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<opus:pages>869-889</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
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<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1089/106652703322756122</opus:ee>
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<opus:pages>775-789</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1089/106652703322539097</opus:ee>
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<opus:title>On the Complexity of Fundamental Computational Problems in Pedigree Analysis.</opus:title>
<opus:pages>763-773</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1089/106652703322539088</opus:ee>
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<opus:pages>453-482</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<opus:ee>http://dx.doi.org/10.1089/10665270360688129</opus:ee>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Latombe:Jean=Claude.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Varma:Chris.html" />
<opus:title>Stochastic Roadmap Simulation: An Efficient Representation and Algorithm for Analyzing Molecular Motion.</opus:title>
<opus:pages>257-281</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<opus:ee>http://dx.doi.org/10.1089/10665270360688011</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb10.html#ApaydinBGHLV03</rdfs:seeAlso>
</opus:Article>

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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chor:Benny.html" />
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yakhini:Zohar.html" />
<opus:title>Discovering Local Structure in Gene Expression Data: The Order-Preserving Submatrix Problem.</opus:title>
<opus:pages>373-384</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<opus:ee>http://dx.doi.org/10.1089/10665270360688075</opus:ee>
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<opus:last_modified_date>2006-04-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Ieong:Samuel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kao:Ming=Yang.html" />
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<opus:title>Predicting RNA Secondary Structures with Arbitrary Pseudoknots by Maximizing the Number of Stacking Pairs.</opus:title>
<opus:pages>981-995</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1089/106652703322756186</opus:ee>
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<opus:title>An Algorithm to Enumerate Sorting Reversals for Signed Permutations.</opus:title>
<opus:pages>575-597</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<opus:ee>http://dx.doi.org/10.1089/10665270360688200</opus:ee>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zien:Alexander.html" />
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<opus:pages>653-667</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
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<opus:number>3/4</opus:number>
<opus:ee>http://dx.doi.org/10.1089/10665270360688246</opus:ee>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Donald:Bruce_Randall.html" />
<opus:title>Phase-Independent Rhythmic Analysis of Genome-Wide Expression Patterns.</opus:title>
<opus:pages>521-536</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<opus:ee>http://dx.doi.org/10.1089/10665270360688165</opus:ee>
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<opus:pages>483-497</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
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<opus:number>3/4</opus:number>
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<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3/4</opus:number>
<opus:ee>http://dx.doi.org/10.1089/10665270360688237</opus:ee>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mossel:Elchanan.html" />
<opus:title>On the Impossibility of Reconstructing Ancestral Data and Phylogenies.</opus:title>
<opus:pages>669-676</opus:pages>
<opus:year>2003</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1089/106652703322539015</opus:ee>
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<opus:volume>12</opus:volume>
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<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1089/cmb.2005.12.894</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb12.html#ZhaoHS05</rdfs:seeAlso>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tang:Chuan_Yi.html" />
<opus:title>An Efficient Algorithm for Sorting by Block-Interchanges and Its Application to the Evolution of Vibrio Species.</opus:title>
<opus:pages>102-112</opus:pages>
<opus:year>2005</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1089/cmb.2005.12.102</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb12.html#LinLCT05</rdfs:seeAlso>
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<opus:title>Applications of Hidden Markov Models for Characterization of Homologous DNA Sequences with a Common Gene.</opus:title>
<opus:pages>186-203</opus:pages>
<opus:year>2005</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1089/cmb.2005.12.186</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb12.html#HobolthJ05</rdfs:seeAlso>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Snoeyink:Jack.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Prins:Jan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tropsha:Alexander.html" />
<opus:title>Comparing Graph Representations of Protein Structure for Mining Family-Specific Residue-Based Packing Motifs.</opus:title>
<opus:pages>657-671</opus:pages>
<opus:year>2005</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1089/cmb.2005.12.657</opus:ee>
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<opus:last_modified_date>2005-09-12</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dewey:T=_Gregory.html" />
<opus:title>A Random Polymer Model of the Statistical Significance of Structure Alignment.</opus:title>
<opus:pages>298-313</opus:pages>
<opus:year>2005</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1089/cmb.2005.12.</opus:ee>
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<opus:last_modified_date>2005-09-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Clote:Peter.html" />
<opus:title>An Efficient Algorithm to Compute the Landscape of Locally Optimal RNA Secondary Structures with Respect to the NussinovJacobson Energy Model.</opus:title>
<opus:pages>83-101</opus:pages>
<opus:year>2005</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1089/cmb.2005.12.83</opus:ee>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/Bailey-KelloggCP05">
<opus:last_modified_date>2005-09-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bailey=Kellogg:Chris.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chainraj:Sheetal.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pandurangan:Gopal.html" />
<opus:title>A Random Graph Approach to NMR Sequential Assignment.</opus:title>
<opus:pages>569-583</opus:pages>
<opus:year>2005</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1089/cmb.2005.12.569</opus:ee>
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<opus:last_modified_date>2005-09-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Segal:Eran.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sharan:Roded.html" />
<opus:title>A Discriminative Model for Identifying Spatial cis-Regulatory Modules.</opus:title>
<opus:pages>822-834</opus:pages>
<opus:year>2005</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1089/cmb.2005.12.822</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb12.html#SegalS05</rdfs:seeAlso>
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<opus:last_modified_date>2005-09-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dew:Ian_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Walenz:Brian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sutton:Granger_G=.html" />
<opus:title>A Tool for Analyzing Mate Pairs in Assemblies (TAMPA).</opus:title>
<opus:pages>497-513</opus:pages>
<opus:year>2005</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1089/cmb.2005.12.497</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb12.html#DewWS05</rdfs:seeAlso>
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<opus:last_modified_date>2006-05-11</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leung:Henry_C=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chin:Francis_Y=_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yiu:Siu=Ming.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rosenfeld:Ronald.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tsang:Wai_Wan.html" />
<opus:title>Finding Motifs with Insufficient Number of Strong Binding Sites.</opus:title>
<opus:pages>686-701</opus:pages>
<opus:year>2005</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1089/cmb.2005.12.686</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb12.html#LeungCYRT05</rdfs:seeAlso>
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<opus:last_modified_date>2005-09-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wagner:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Adamczak:Rafal.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Porollo:Aleksey_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Meller:Jaroslaw.html" />
<opus:title>Linear Regression Models for Solvent Accessibility Prediction in Proteins.</opus:title>
<opus:pages>355-369</opus:pages>
<opus:year>2005</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1089/cmb.2005.12.355</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb12.html#WagnerAPM05</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/NedelecMGBDDT05">
<opus:last_modified_date>2005-09-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/N=eacute=d=eacute=lec:Elodie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Moncion:Thomas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gassiat:Elisabeth.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bossard:Bruno.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Duchateau=Nguyen:Guillemette.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Denise:Alain.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Termier:Michel.html" />
<opus:title>A Pairwise Alignment Algorithm Which Favors Clusters of Blocks.</opus:title>
<opus:pages>33-47</opus:pages>
<opus:year>2005</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1089/cmb.2005.12.33</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb12.html#NedelecMGBDDT05</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/LeungCXC05">
<opus:last_modified_date>2005-09-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leung:Ming=Ying.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Choi:Kwok_Pui.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xia:Aihua.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Louis_H=_Y=.html" />
<opus:title>Nonrandom Clusters of Palindromes in Herpesvirus Genomes.</opus:title>
<opus:pages>331-354</opus:pages>
<opus:year>2005</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1089/cmb.2005.12.331</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb12.html#LeungCXC05</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/YonaK05">
<opus:last_modified_date>2005-09-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yona:Golan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kedem:Klara.html" />
<opus:title>The URMS-RMS Hybrid Algorithm for Fast and Sensitive Local Protein Structure Alignment.</opus:title>
<opus:pages>12-32</opus:pages>
<opus:year>2005</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1089/cmb.2005.12.12</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb12.html#YonaK05</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/BeerenwinkelRDHKSL05">
<opus:last_modified_date>2005-09-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Beerenwinkel:Niko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rahnenf=uuml=hrer:J=ouml=rg.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/D=auml=umer:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hoffmann:Daniel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kaiser:Rolf.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Selbig:Joachim.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lengauer:Thomas.html" />
<opus:title>Learning Multiple Evolutionary Pathways from Cross-Sectional Data.</opus:title>
<opus:pages>584-598</opus:pages>
<opus:year>2005</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1089/cmb.2005.12.584</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb12.html#BeerenwinkelRDHKSL05</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcb/NovW05">
<opus:last_modified_date>2005-09-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nov:Yuval.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wein:Lawrence_M=.html" />
<opus:title>Modeling and Analysis of Protein Design under Resource Constraints.</opus:title>
<opus:pages>247-282</opus:pages>
<opus:year>2005</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computational Biology</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1089/cmb.2005.12.247</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcb/jcb12.html#NovW05</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PurisimaN95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Purisima:Enrico_O=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nilar:Shahul_H=.html" />
<opus:title>A Samle Yet Accurate Boundary Element Method for Contituum Dielectric Calculations.</opus:title>
<opus:pages>681-689</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#PurisimaN95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CastellGBC96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Castell:O=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Garc=iacute=a:V=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bo:C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Caballol:R=.html" />
<opus:title>Relative stability of the 3A2, 1A2, and 1A1 states of phenylnitrene: A difference-dedicated configuration interaction calculation.</opus:title>
<opus:pages>42-48</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960115)17:1&lt;42::AID-JCC4&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#CastellGBC96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PaninS96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Panin:A=_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sizova:O=_V=.html" />
<opus:title>Direct CI method in restricted configuration spaces.</opus:title>
<opus:pages>178-184</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960130)17:2&lt;178::AID-JCC5&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#PaninS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BouSBMK97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bou:Petr.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sopkov=aacute=:Jana.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bedn=aacute=rov=aacute=:Lucie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Malo:Petr.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Keiderling:Timothy_A=.html" />
<opus:title>Transfer of molecular property tensors in cartesian coordinates: A new algorithm for simulation of vibrational spectra.</opus:title>
<opus:pages>646-659</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970415)18:5&lt;646::AID-JCC6&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#BouSBMK97</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Calvo-LosadaQSS98">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Calvo=Losada:Saturnino.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/q/Quirante:Jos=eacute=_Joaqu=iacute=n.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Su=aacute=rez:Dimas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sordo:Tom=aacute=s_Luis.html" />
<opus:title>Rearrangement of azirine intermediates to nitriles: Theoretical study of cleavage of 3, 4-dihydro-1aH-azirine[2, 3-c]pyrrol-2-one to cyanoketene-formaldimine complex.</opus:title>
<opus:pages>912-922</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199806)19:8&lt;912::AID-JCC10&gt;3.0.CO;2-9</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#Calvo-LosadaQSS98</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MasgrauGL99">
<opus:last_modified_date>2005-04-14</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gonz=aacute=lez=Lafont:=Agrave=ngels.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lluch:Jos=eacute=_M=.html" />
<opus:title>Effect of a complex formation on the calculated low-pressure rate constant of a bimolecular gas-phase reaction governed by tunneling.</opus:title>
<opus:pages>1685-1692</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199912)20:16&lt;1685::AID-JCC1&gt;3.0.CO;2-9</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#MasgrauGL99</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MapleHJSH98">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jalkanen:Karl_James.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stockfisch:Thomas_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hagler:Arnold_T=.html" />
<opus:title>Derivation of class II force fields: V. Quantum force field for amides, peptides, and related compounds.</opus:title>
<opus:pages>430-458</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199803)19:4&lt;430::AID-JCC5&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#MapleHJSH98</rdfs:seeAlso>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thompson:Jon_W=.html" />
<opus:title>Syn and anti aryl nitrenium ions.</opus:title>
<opus:pages>231-243</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990130)20:2&lt;231::AID-JCC5&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#FordHT99</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Beck99">
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<opus:title>Multigrid high-order mesh refinement techniques for composite grid electrostatics calculations.</opus:title>
<opus:pages>1731-1739</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199912)20:16&lt;1731::AID-JCC5&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Beck99</rdfs:seeAlso>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Still:W=_Clark.html" />
<opus:title>Fast, approximate algorithm for detection of solvent-inaccessible atoms.</opus:title>
<opus:pages>586-596</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990430)20:6&lt;586::AID-JCC4&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#WeiserSS99a</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WeiserSS99b">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Still:W=_Clark.html" />
<opus:title>Optimization of Gaussian surface calculations and extension to solvent-accessible surface areas.</opus:title>
<opus:pages>688-703</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199905)20:7&lt;688::AID-JCC4&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#WeiserSS99b</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/EndoHNW96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Endo:Shigeru.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Higo:Junichi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nagayama:Kuniaki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wako:Hiroshi.html" />
<opus:title>New implementation of and the modeling by the extended simulated annealing process to structures of T4 lysozyme mutants at the 86th residue.</opus:title>
<opus:pages>476-488</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199603)17:4&lt;476::AID-JCC8&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#EndoHNW96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Li01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Xiang=Yuan.html" />
<opus:title>Electron transfer between tryptophan and tyrosine: Theoretical calculation of electron transfer matrix element for intramolecular hole transfer.</opus:title>
<opus:pages>565-579</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1029</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Li01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RicoLAER98">
<opus:last_modified_date>2004-09-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rico:Jaime_Fern=aacute=ndez.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/L=oacute=pez:R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Aguado:A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Ema:I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ram=iacute=rez:G=.html" />
<opus:title>Reference program for molecular calculations with Slater-type orbitals.</opus:title>
<opus:pages>1284-1293</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199808)19:11&lt;1284::AID-JCC8&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#RicoLAER98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ForesA99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/For=eacute=s:Marta.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Adamowicz:Ludwik.html" />
<opus:title>A CASSCF-CASPT2 study of the excited-state intramolecular proton transfer reaction in 1-amino-3-propenal using different active spaces.</opus:title>
<opus:pages>1422-1431</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199910)20:13&lt;1422::AID-JCC9&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#ForesA99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FilizolaTLV01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Filizola:Marta.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tasso:Silvina_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Loew:Gilda_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Villar:Hugo_O=.html" />
<opus:title>Global physicochemical properties as activity discriminants for the mGluR1 subtype of metabotropic glutamate receptors.</opus:title>
<opus:pages>2018-2027</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1150</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#FilizolaTLV01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WeiserWSS98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weiser:J=ouml=rg.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weiser:Armin_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shenkin:Peter_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Still:W=_Clark.html" />
<opus:title>Neighbor-list reduction: Optimization for computation of molecular van der Waals and solvent-accessible surface areas.</opus:title>
<opus:pages>797-808</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199805)19:7&lt;797::AID-JCC9&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#WeiserWSS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/EschrigS99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Servedio:Vito_Domenico_Pietro.html" />
<opus:title>Relativistic density functional approach to open shells.</opus:title>
<opus:pages>23-30</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990115)20:1&lt;23::AID-JCC5&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#EschrigS99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KerdcharoenLR96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kerdcharoen:Teerakiat.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liedl:Klaus_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rode:Bernd_M=.html" />
<opus:title>Bidirectional molecular dynamics: Interpretation in terms of a modern formulation of classical mechanics.</opus:title>
<opus:pages>1564-1570</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199610)17:13&lt;1564::AID-JCC8&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#KerdcharoenLR96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TunonMMRR96">
<opus:last_modified_date>2004-11-15</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tu=ntilde==oacute=n:I=ntilde=aki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Martins=Costa:Marilia_T=_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Millot:Claude.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruiz=L=oacute=pez:Manuel_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rivail:Jean=Louis.html" />
<opus:title>A coupled density functional-molecular mechanics Monte Carlo simulation method: The water molecule in liquid water.</opus:title>
<opus:pages>19-29</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960115)17:1&lt;19::AID-JCC2&gt;3.0.CO;2-3</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#TunonMMRR96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CaiS02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cai:Wensheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shao:Xueguang.html" />
<opus:title>A fast annealing evolutionary algorithm for global optimization.</opus:title>
<opus:pages>427-435</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10029</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#CaiS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RajamaniG02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rajamani:Ramkumar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gao:Jiali.html" />
<opus:title>Combined QM/MM study of the opsin shift in bacteriorhodopsin.</opus:title>
<opus:pages>96-105</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1159</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#RajamaniG02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ODonohueMLBT00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/O=Donohue:M=_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Minasian:E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leach:Simon_Joshua.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Burgess:A=_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Treutlein:Herbert_R=.html" />
<opus:title>PEPCAT - A new tool for conformational analysis of peptides.</opus:title>
<opus:pages>446-461</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000430)21:6&lt;446::AID-JCC4&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#ODonohueMLBT00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MarquezOSD97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/M=aacute=rquez:Antonio_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oviedo:Jaime.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sanz:Javier_Fern=aacute=ndez.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dupuis:Michel.html" />
<opus:title>Parallel computation of second derivatives of RHF energy on distributed memory computers.</opus:title>
<opus:pages>159-168</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970130)18:2&lt;159::AID-JCC2&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#MarquezOSD97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CaoW97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cao:Xiaoping.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Yan.html" />
<opus:title>Molecular symmetry and ab initio calculations: IV. Symmetry-matrix and symmetry-supermatrix in calculations of two-electron repulsion integrals.</opus:title>
<opus:pages>971-979</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199706)18:8&lt;971::AID-JCC1&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#CaoW97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HigoN02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Higo:Junichi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakasako:Masayoshi.html" />
<opus:title>Hydration structure of human lysozyme investigated by molecular dynamics simulation and cryogenic X-ray crystal structure analyses: On the correlation between crystal water sites, solvent density, and solvent dipole.</opus:title>
<opus:pages>1323-1336</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10100</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#HigoN02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ForemanPRD99">
<opus:last_modified_date>2004-09-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Foreman:K=_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Phillips:Andrew_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rosen:J=_Ben.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dill:Ken_A=.html" />
<opus:title>Comparing search strategies for finding global optima on energy landscapes.</opus:title>
<opus:pages>1527-1532</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991115)20:14&lt;1527::AID-JCC5&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#ForemanPRD99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/EssexJ95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Essex:Jonathan_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jorgensen:William_L=.html" />
<opus:title>An Empirical Boundary Potential for Water Droplet Simulations.</opus:title>
<opus:pages>951-972</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#EssexJ95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JensenB98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jensen:Vidar_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/B=oslash=rve:Knut_J=.html" />
<opus:title>An investigation of the quantum chemical description of the ethylenic double bond in reactions: II. Insertion of ethylene into a titanium-carbon bond.</opus:title>
<opus:pages>947-960</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199806)19:8&lt;947::AID-JCC13&gt;3.0.CO;2-4</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#JensenB98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TalaricoBG00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Talarico:Giovanni.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Budzelaar:Peter_H=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gal:Anton_W=.html" />
<opus:title>Ethylene coordination, insertion, and chain transfer at a cationic aluminum center: A comparative study with Ab Initio correlated level and density functional methods.</opus:title>
<opus:pages>398-410</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000415)21:5&lt;398::AID-JCC6&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#TalaricoBG00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/StrassnerBH02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Strassner:Thomas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Busold:Markus.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Herrmann:Wolfgang_A=.html" />
<opus:title>MM3 parametrization of four- and five-coordinated rhenium complexes by a genetic algorithm - Which factors influence the optimization performance?</opus:title>
<opus:pages>282-290</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10000</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#StrassnerBH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GelabertML94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gelabert:Ricard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Moreno:Miquel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lluch:Jos=eacute=_M=.html" />
<opus:title>Applicability of the WKB Method in Asymmetric Double Wells with Degenerate and Nondegenerate Minima.</opus:title>
<opus:pages>125-131</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#GelabertML94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DobbynKH98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dobbyn:Abigail_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Knowles:Peter_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harrison:Robert_J=.html" />
<opus:title>Parallel internally contracted multireference configuration interaction.</opus:title>
<opus:pages>1215-1228</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199808)19:11&lt;1215::AID-JCC2&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#DobbynKH98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LuqueBAO96">
<opus:last_modified_date>2004-09-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luque:F=_Javier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bachs:Margarida.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alem=aacute=n:Carlos.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Orozco:Modesto.html" />
<opus:title>Extension of MST/SCRF method to organic solvents: Ab initio and semiempirical parametrization for neutral solutes in CCl4.</opus:title>
<opus:pages>806-820</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199605)17:7&lt;806::AID-JCC5&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#LuqueBAO96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Chen95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:P=_C=.html" />
<opus:title>The Molecular Structures and the Absorption Maxima of the H-Chromophores of t he Indigoid Dyes.</opus:title>
<opus:pages>945-950</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#Chen95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BliznyukG96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bliznyuk:Andrey_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gready:Jill_E=.html" />
<opus:title>Numerical calculation of molecular surface area. I.Assessment of Errors.</opus:title>
<opus:pages>962-969</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199606)17:8&lt;962::AID-JCC5&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#BliznyukG96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BliznyukG99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bliznyuk:Andrey_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gready:Jill_E=.html" />
<opus:title>Simple method for locating possible ligand binding sites on protein surfaces.</opus:title>
<opus:pages>983-988</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990715)20:9&lt;983::AID-JCC9&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#BliznyukG99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BliznyukR99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bliznyuk:Andrey_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rendell:Alistair_P=.html" />
<opus:title>Faster gradients for semiempirical methods.</opus:title>
<opus:pages>629-635</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990430)20:6&lt;629::AID-JCC9&gt;3.0.CO;2-Z</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#BliznyukR99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BuSN99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bu:Yuxiang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sun:Haitao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Niu:Hongbo.html" />
<opus:title>Electron transfer reactivity of O2+O2- system in low-spin coupling: Ab Initio study at electron correlation level.</opus:title>
<opus:pages>989-998</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990730)20:10&lt;989::AID-JCC1&gt;3.0.CO;2-E</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#BuSN99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Faulon01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Faulon:Jean=Loup.html" />
<opus:title>Stochastic generator of chemical structure. 4. Building polymeric systems with specified properties.</opus:title>
<opus:pages>580-590</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1030</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Faulon01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PonecD99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Ponec:Robert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Duben:Anthony_J=.html" />
<opus:title>Electron pairing and chemical bonds: Bonding in hypervalent molecules from analysis of Fermi holes.</opus:title>
<opus:pages>760-771</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199906)20:8&lt;760::AID-JCC2&gt;3.0.CO;2-3</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#PonecD99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GlendeningBW98">
<opus:last_modified_date>2006-01-13</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Glendening:Eric_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Badenhoop:J=_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weinhold:Frank.html" />
<opus:title>Natural resonance theory: III. Chemical applications.</opus:title>
<opus:pages>628-646</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980430)19:6&lt;628::AID-JCC5&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#GlendeningBW98</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Buhl99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/B=uuml=hl:Michael.html" />
<opus:title>Theoretical study of a vanadate peptide complex.</opus:title>
<opus:pages>1254-1261</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199909)20:12&lt;1254::AID-JCC5&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Buhl99</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Cullen99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cullen:John.html" />
<opus:title>Is GVB-CI superior to CASSCF?</opus:title>
<opus:pages>999-1008</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990730)20:10&lt;999::AID-JCC2&gt;3.0.CO;2-A</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Cullen99</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Stewart98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stewart:James_J=_P=.html" />
<opus:title>Symmetry groups for unit cells in solids.</opus:title>
<opus:pages>168-180</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980130)19:2&lt;168::AID-JCC9&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#Stewart98</rdfs:seeAlso>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dobson:John_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gross:Eberhard_K=_U=.html" />
<opus:title>Toward the description of van der Waals interactions within density functional theory.</opus:title>
<opus:pages>12-22</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990115)20:1&lt;12::AID-JCC4&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#LeinDG99</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GlendeningW98a">
<opus:last_modified_date>2006-01-13</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Glendening:Eric_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weinhold:Frank.html" />
<opus:title>Natural resonance theory: II. Natural bond order and valency.</opus:title>
<opus:pages>610-627</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980430)19:6&lt;610::AID-JCC4&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#GlendeningW98a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FischerCS98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fischer:Alexander.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cordes:Frank.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sch=uuml=tte:Christof.html" />
<opus:title>Hybrid Monte Carlo with adaptive temperature in mixed-canonical ensemble: Efficient conformational analysis of RNA.</opus:title>
<opus:pages>1689-1697</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981130)19:15&lt;1689::AID-JCC2&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#FischerCS98</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WagnerS99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Simonson:Thomas.html" />
<opus:title>Implicit solvent models: Combining an analytical formulation of continuum electrostatics with simple models of the hydrophobic effect.</opus:title>
<opus:pages>322-335</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199902)20:3&lt;322::AID-JCC4&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#WagnerS99</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FischerPL95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fischer:Thomas_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Petersen:Wesley_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/L=uuml=thi:Hans_Peter.html" />
<opus:title>A New Optimization Technique for Artificial Neural Networks Applied to Prediction of Force Constants of Large Molecules.</opus:title>
<opus:pages>923-936</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#FischerPL95</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Teppen:Brian_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yu:Ching=Hsing.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miller:David_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sch=auml=fer:Lothar.html" />
<opus:title>Molecular dynamics simulations of sorption of organic compounds at the clay mineral/aqueous solution interface.</opus:title>
<opus:pages>144-153</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980130)19:2&lt;144::AID-JCC7&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#TeppenYMS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RaberG99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Raber:Douglas_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Guida:Wayne_C=.html" />
<opus:title>Guidelines for publication of research results from force-field calculations.</opus:title>
<opus:pages>1591-1592</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991115)20:14&lt;1591::AID-JCC13&gt;3.0.CO;2-C</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#RaberG99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AlikhaniS98">
<opus:last_modified_date>2004-09-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alikhani:Mohammad_Esma=iuml=l.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Silvi:Bernard.html" />
<opus:title>DFT-predicted structural, vibrational, and bonding properties of XSiO and X2SiO (X=F, Cl, or Br) molecules.</opus:title>
<opus:pages>1205-1214</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199808)19:11&lt;1205::AID-JCC1&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#AlikhaniS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ArnaudVB00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Arnaud:Roger.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vetere:Valentina.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barone:Vincenzo.html" />
<opus:title>Quantum mechanical study of regioselectivity of radical additions to substituted olefins.</opus:title>
<opus:pages>675-691</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200006)21:8&lt;675::AID-JCC7&gt;3.0.CO;2-E</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#ArnaudVB00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TronchetK94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tronchet:Jean_M=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Komaromi:Istvan.html" />
<opus:title>&lt;sup&gt;3&lt;/sup&gt;) - O Single Bond.</opus:title>
<opus:pages>1091-1104</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#TronchetK94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BerozaF96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Beroza:Paul.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fredkin:D=_R=.html" />
<opus:title>Calculation of amino acid pKaS in a protein from a continuum electrostatic model: Method and sensitivity analysis.</opus:title>
<opus:pages>1229-1244</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960730)17:10&lt;1229::AID-JCC4&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#BerozaF96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Shalabi02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shalabi:A=_S=.html" />
<opus:title>FA(I): Au+ and FA(II): Cu+ laser activity and photographic sensitization at the low coordinated surfaces of AgBr ab initio calculations.</opus:title>
<opus:pages>1104-1120</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10109</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Shalabi02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CaiLXC02">
<opus:last_modified_date>2003-09-19</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cai:Yu=Dong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Xiao=Jun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xu:Xue=biao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chou:Kuo=Chen.html" />
<opus:title>Support vector machines for predicting HIV protease cleavage sites in protein.</opus:title>
<opus:pages>267-274</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10017</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#CaiLXC02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BallestreroBR96">
<opus:last_modified_date>2005-09-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Ballestrero:P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baglietto:Pierpaolo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruggiero:C=.html" />
<opus:title>Molecular dynamics for proteins: Performance evaluation on massively parallel computers based on mesh networks using a space decomposition approach.</opus:title>
<opus:pages>469-475</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199603)17:4&lt;469::AID-JCC7&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#BallestreroBR96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DixonJ94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dixon:Steven_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jurs:Peter_C=.html" />
<opus:title>Fast Geometry Optimization Using a Modifed Extended H&#252;ckel Method: Results for Molecules Containing H, C, N, O, and F.</opus:title>
<opus:pages>733-746</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#DixonJ94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DixonK97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dixon:Richard_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollman:Peter_A=.html" />
<opus:title>Advancing beyond the atom-centered model in additive and nonadditive molecular mechanics.</opus:title>
<opus:pages>1632-1646</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199710)18:13&lt;1632::AID-JCC5&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#DixonK97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChenCG97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Zhuo=Min.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/=/=Ccedil=agin:Tahir.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/III:William_A=_Goddard.html" />
<opus:title>Fast Ewald sums for general van der Waals potentials.</opus:title>
<opus:pages>1365-1370</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199708)18:11&lt;1365::AID-JCC4&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#ChenCG97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FallerSBM99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Faller:Roland.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schmitz:Heiko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Biermann:Oliver.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/M=uuml=ller=Plathe:Florian.html" />
<opus:title>Automatic parameterization of force fields for liquids by simplex optimization.</opus:title>
<opus:pages>1009-1017</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990730)20:10&lt;1009::AID-JCC3&gt;3.0.CO;2-C</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#FallerSBM99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TrossetS99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Trosset:Jean=Yves.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:title>Flexible docking simulations: Scaled collective variable Monte Carlo minimization approach using Bezier splines, and comparison with a standard Monte Carlo algorithm.</opus:title>
<opus:pages>244-252</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990130)20:2&lt;244::AID-JCC6&gt;3.0.CO;2-A</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#TrossetS99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BlondelK96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Blondel:Arnaud.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karplus:Martin.html" />
<opus:title>New formulation for derivatives of torsion angles and improper torsion angles in molecular mechanics: Elimination of singularities.</opus:title>
<opus:pages>1132-1141</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960715)17:9&lt;1132::AID-JCC5&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#BlondelK96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GunnF96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gunn:John_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Friesner:Richard_A=.html" />
<opus:title>Parallel implementation of a protein structure refinement algorithm.</opus:title>
<opus:pages>1217-1228</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960730)17:10&lt;1217::AID-JCC3&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#GunnF96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChenYM02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:I_Jen.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yin:Daxu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jr=:Alexander_D=_MacKerell.html" />
<opus:title>Combined ab initio/empirical approach for optimization of Lennard-Jones parameters for polar-neutral compounds.</opus:title>
<opus:pages>199-213</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1166</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#ChenYM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MestresSDC94">
<opus:last_modified_date>2004-02-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mestres:Jordi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sol=agrave=:Miquel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Duran:Miquel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carb=oacute=:Ramon.html" />
<opus:title>On the Calculation of Ab Initio Quantum Molecular Similarities for Large Systems: Fitting the Electron Density.</opus:title>
<opus:pages>1113-1120</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#MestresSDC94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SteinbachB94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Steinbach:Peter_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brooks:Bernard_R=.html" />
<opus:title>New Spherical-Cutoff Methods for Long-Range Forces in Macromolecular Simulation.</opus:title>
<opus:pages>667-683</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#SteinbachB94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NeugebauerRKH02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Neugebauer:Johannes.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reiher:Markus.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kind:Carsten.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hess:Bernd_A=.html" />
<opus:title>Quantum chemical calculation of vibrational spectra of large molecules - Raman and IR spectra for Buckminsterfullerene.</opus:title>
<opus:pages>895-910</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10089</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#NeugebauerRKH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZhangKA94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Zhenghong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kozlowski:Pawel_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Adamowicz:Ludwik.html" />
<opus:title>Newton-Raphson Optimization of the Explicitly Correlated Gaussian Functions for Calculations of the Ground State of the Helium Atom.</opus:title>
<opus:pages>54-60</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#ZhangKA94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BegueP01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/B=eacute=gu=eacute=:Didier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pouchan:Claude.html" />
<opus:title>Density functional finite cluster method for polarizability of large BeN three-dimensional systems.</opus:title>
<opus:pages>230-240</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010130)22:2&lt;230::AID-JCC10&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#BegueP01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CoitinoTC95">
<opus:last_modified_date>2004-11-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Coiti=ntilde=o:Elena_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tomasi:Jacopo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cammi:Roberto.html" />
<opus:title>On the Evaluation of the Solvent Polarization Apparent Charges in the Polarizable Contnuum Model: A New Formulation.</opus:title>
<opus:pages>20-30</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#CoitinoTC95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Baker97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baker:Jon.html" />
<opus:title>Constrained optimization in delocalized internal coordinates.</opus:title>
<opus:pages>1079-1095</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199706)18:8&lt;1079::AID-JCC12&gt;3.0.CO;2-8</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Baker97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Derreumaux00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Derreumaux:Philippe.html" />
<opus:title>Predicting helical hairpins from sequences by Monte Carlo simulations.</opus:title>
<opus:pages>582-589</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200005)21:7&lt;582::AID-JCC7&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#Derreumaux00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AmatC99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Amat:Llu=iacute=s.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carb=oacute==Dorca:Ramon.html" />
<opus:title>Fitted electronic density functions from H to Rn for use in quantum similarity measures: cis-diamminedichloroplatinum(II) complex as an application example.</opus:title>
<opus:pages>911-920</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990715)20:9&lt;911::AID-JCC2&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#AmatC99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HrovatWGB01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hrovat:David_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Williams:Richard_Vaughan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Goren:Alan_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Borden:Weston_Thatcher.html" />
<opus:title>B3LYP calculations on bishomoaromaticity in substituted semibullvalenes*.</opus:title>
<opus:pages>1565-1573</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1110</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#HrovatWGB01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CovickS96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Covick:Lawrence_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sando:Kenneth_M=.html" />
<opus:title>Portable, parallel transformation: Distributed-Memory approach.</opus:title>
<opus:pages>992-1001</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199606)17:8&lt;992::AID-JCC8&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#CovickS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BuenkerWILK02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Buenker:R=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Whitten:J=_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Izgorodina:E=_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liebermann:H==P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kokh:D=_B=.html" />
<opus:title>Use of exchange maximization to generate starting vectors for self-consistent field calculations on metal cluster/adsorbate systems.</opus:title>
<opus:pages>943-949</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10094</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#BuenkerWILK02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CarpenterCWH02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carpenter:John_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Christoffels:Alan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weinbach:Yael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hide:Winston_A=.html" />
<opus:title>Assessment of the parallelization approach of d2_cluster for high-performance sequence clustering.</opus:title>
<opus:pages>755-757</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10025</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#CarpenterCWH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiangCDLB97">
<opus:last_modified_date>2004-09-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liang:Guyan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Xiannong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dustman:John_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lewin:Anita_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bowen:J=_Phillip.html" />
<opus:title>Ab initio calculations and molecular mechanics (MM3) force field development for ammonium and protonated aliphatic amines.</opus:title>
<opus:pages>1371-1391</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199708)18:11&lt;1371::AID-JCC5&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#LiangCDLB97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TakashimaYOKIMTN02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Takashima:Hajime.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yamada:So.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Obara:Shigeru.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kitamura:Kunihiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Inabata:Shinjiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miyakawa:Nobuaki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tanabe:Kazutoshi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nagashima:Umpei.html" />
<opus:title>A novel parallel algorithm for large-scale Fock matrix construction with small locally distributed memory architectures: RT parallel algorithm.</opus:title>
<opus:pages>1337-1346</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10133</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#TakashimaYOKIMTN02</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PeticolasR95">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/III:Thomas_Rush.html" />
<opus:title>Ab Initio Calculations of the Ultraviolet Resonance Raman Spectra of Uracil.</opus:title>
<opus:pages>1261-1270</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#PeticolasR95</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VillaBGLBW00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vill=aacute=:Jordi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bentzien:J=ouml=rg.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gonz=aacute=lez=Lafont:=Agrave=ngels.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lluch:Jos=eacute=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bertran:Juan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Warshel:Arieh.html" />
<opus:title>Effective way of modeling chemical catalysis: Empirical valence bond picture of role of solvent and catalyst in alkylation reactions.</opus:title>
<opus:pages>607-625</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200006)21:8&lt;607::AID-JCC3&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#VillaBGLBW00</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BushenkovRS00">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smirnov:Georgi_V=.html" />
<opus:title>Adsorption integral equation via complex approximation with constraints: The Langmuir kernel.</opus:title>
<opus:pages>191-200</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200002)21:3&lt;191::AID-JCC3&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#BushenkovRS00</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BushenkovRS01">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smirnov:Georgi_V=.html" />
<opus:title>Adsorption integral equation via complex approximation with constraints: kernel of general form.</opus:title>
<opus:pages>1058-1066</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1066</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#BushenkovRS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/El-NahasS94">
<opus:last_modified_date>2004-09-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/El=Nahas:Ahmed_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schleyer:Paul_von_Ragu=eacute=.html" />
<opus:title>Structures and Stabilization Energies of Methyl Anions with Main Group Stubstituens from the First Five Periods.</opus:title>
<opus:pages>596-627</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#El-NahasS94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Duke01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Duke:Brian_J=.html" />
<opus:title>Choice of Spin-Orbit Correction Terms in Gaussian Model Chemistries.</opus:title>
<opus:pages>1552-1556</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1108</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Duke01</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/UrataTMTUS02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Urata:Shingo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tsuzuki:Seiji.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mikami:Masuhiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Takada:Akira.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Uchimaru:Tadafumi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sekiya:Akira.html" />
<opus:title>Analysis of the intermolecular interaction between CH3OCH3, CF3OCH3, CF3OCF3, and CH4: High level ab initio calculations.</opus:title>
<opus:pages>1472-1479</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10118</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#UrataTMTUS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NovoselovSUVMK02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Novoselov:Konstantin_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shirabaikin:Denis_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Umanskii:Stanislav_Ya=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vladimirov:Alexander_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Minushev:Airat_Kh=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Korkin:Anatoli_A=.html" />
<opus:title>CHIMERA: A software tool for reaction rate calculations and kinetics and thermodynamics analysis.</opus:title>
<opus:pages>1375-1389</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10105</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#NovoselovSUVMK02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Parker99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Parker:J=_M=_R=.html" />
<opus:title>The relationship between peptide plane rotation (PPR) and similar conformations.</opus:title>
<opus:pages>947-955</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990715)20:9&lt;947::AID-JCC6&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Parker99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VenturaKC96">
<opus:last_modified_date>2004-10-29</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Ventura:Oscar_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kieninger:Martina.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Coiti=ntilde=o:Elena_L=.html" />
<opus:title>Density functional study of isomerization of fluoro- and chloroformaldehyde radical cations.</opus:title>
<opus:pages>1309-1317</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199608)17:11&lt;1309::AID-JCC3&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#VenturaKC96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BudinMTC01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Budin:Nicolas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Majeux:Nicolas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tenette=Souaille:Catherine.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Caflisch:Amedeo.html" />
<opus:title>Structure-based ligand design by a build-up approach and genetic algorithm search in conformational space.</opus:title>
<opus:pages>1956-1970</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1145</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#BudinMTC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FanA94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fan:Yi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:title>Molecular Mechanics (MM3) Calculations on Azoxy Compounds.</opus:title>
<opus:pages>1446-1462</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#FanA94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ValdesS02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vald=eacute=s:H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sordo:J=_A=.html" />
<opus:title>Ab initio and DFT studies on van der Waals trimers: The OCS&#183;(CO2)2 complexes.</opus:title>
<opus:pages>444-455</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10041</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#ValdesS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BarrowsSCFT98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barrows:Susan_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Storer:Joey_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cramer:Christopher_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/French:Alfred_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Truhlar:Donald_G=.html" />
<opus:title>Factors controlling relative stability of anomers and hydroxymethyl conformers of glucopyranose.</opus:title>
<opus:pages>1111-1129</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980730)19:10&lt;1111::AID-JCC1&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#BarrowsSCFT98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FogolariEVM01">
<opus:last_modified_date>2006-05-16</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fogolari:Federico.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Esposito:G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Viglino:P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Molinari:Henriette.html" />
<opus:title>Molecular mechanics and dynamics of biomolecules using a solvent continuum model.</opus:title>
<opus:pages>1830-1842</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1134</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#FogolariEVM01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FloresR94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Flores:Jes=uacute=s_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Redondo:P=.html" />
<opus:title>High-Precision Atomic Computations from Finite Element Techniques: Second-Order Correlation Energeis for Be, Ca, Sr, Cd, Yb, and Hg.</opus:title>
<opus:pages>782-790</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#FloresR94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RussoTG00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Russo:Nino.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Toscano:Marirosa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grand:Andr=eacute=.html" />
<opus:title>Theoretical determination of electron affinity and ionization potential of DNA and RNA bases.</opus:title>
<opus:pages>1243-1250</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20001115)21:14&lt;1243::AID-JCC3&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#RussoTG00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Halgren96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Halgren:Thomas_A=.html" />
<opus:title>Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94.</opus:title>
<opus:pages>490-519</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5-6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199604)17:5/6&lt;490::AID-JCC1&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#Halgren96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Halgren99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Halgren:Thomas_A=.html" />
<opus:title>MMFF VI. MMFF94s option for energy minimization studies.</opus:title>
<opus:pages>720-729</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199905)20:7&lt;720::AID-JCC7&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Halgren99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BattersbyDHTM94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Battersby:P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dean:J=_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hitchen:S=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tomlinson:W=_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Myers:P=_M=.html" />
<opus:title>Interaction between Carbon Dioxide and Naphthalene: A Molecular Modeling Approach.</opus:title>
<opus:pages>580-587</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#BattersbyDHTM94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HudsonMG96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hudson:Charles_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McAdoo:David_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Giam:C=_S=.html" />
<opus:title>The isomers of ionized ethane.</opus:title>
<opus:pages>1532-1540</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199610)17:13&lt;1532::AID-JCC4&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#HudsonMG96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MokLCD01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mok:Daniel_K=_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Edmond_P=_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chau:Foo=Tim.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dyke:John_M=.html" />
<opus:title>Ab initio calculations on the and states of AlNC and simulation of the AlNC - emission spectra.</opus:title>
<opus:pages>1896-1906</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1140</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#MokLCD01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NakagawaTH00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakagawa:Yoshinao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tajima:Nobuo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirao:Kimihiko.html" />
<opus:title>A theoretical study of catalytic hydration reactions of ethylene.</opus:title>
<opus:pages>1292-1304</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20001115)21:14&lt;1292::AID-JCC8&gt;3.0.CO;2-5</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#NakagawaTH00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SchulerDG01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schuler:Lukas_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Daura:Xavier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gunsteren:Wilfred_F=_van.html" />
<opus:title>An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase.</opus:title>
<opus:pages>1205-1218</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1078</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#SchulerDG01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/StyszynkiCMV97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Styszynki:Jacek.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cao:Xiaoping.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Malli:Gulzari_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Visscher:Lucas.html" />
<opus:title>&lt;sub&gt;n&lt;/sub&gt;, n = 1, 2, 4, 6).</opus:title>
<opus:pages>601-608</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970415)18:5&lt;601::AID-JCC1&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#StyszynkiCMV97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VarnekW96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Varnek:Alexandre.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wipff:Georges.html" />
<opus:title>Theoretical calculations of extraction selectivity: Alkali cation complexes of calix[4]-bis-crown6 in pure water, chloroform, and at a water/chloroform interface.</opus:title>
<opus:pages>1520-1531</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199610)17:13&lt;1520::AID-JCC3&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#VarnekW96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KirtmanCL00">
<opus:last_modified_date>2004-11-15</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kirtman:Bernard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Champagne:Beno=icirc=t.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luis:Josep_M=.html" />
<opus:title>Efficient treatment of the effect of vibrations on electrical, magnetic, and spectroscopic properties.</opus:title>
<opus:pages>1572-1588</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200012)21:16&lt;1572::AID-JCC14&gt;3.0.CO;2-8</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#KirtmanCL00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Wullen02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/W=uuml=llen:Christoph_Van.html" />
<opus:title>Spin densities in two-component relativistic density functional calculations: Noncollinear versus collinear approach.</opus:title>
<opus:pages>779-785</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10043</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Wullen02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Wullen99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/W=uuml=llen:Christoph_Van.html" />
<opus:title>Relativistic all-electron density functional calculations.</opus:title>
<opus:pages>51-62</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990115)20:1&lt;51::AID-JCC7&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Wullen99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LemakB96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lemak:A=_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Balabaev:N=_K=.html" />
<opus:title>Molecular dynamics simulation of a polymer chain in solution by collisional dynamics method.</opus:title>
<opus:pages>1685-1695</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19961130)17:15&lt;1685::AID-JCC1&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#LemakB96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HallHBH00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hall:Richard_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hindle:Sally_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Burton:Neil_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hillier:Ian_H=.html" />
<opus:title>Aspects of hybrid QM/MM calculations: The treatment of the QM/MM interface region and geometry optimization with an application to chorismate mutase.</opus:title>
<opus:pages>1433-1441</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200012)21:16&lt;1433::AID-JCC2&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#HallHBH00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LeiningerSAS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leininger:Matthew_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sherrill:C=_David.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allen:Wesley_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/III:Henry_F=_Schaefer.html" />
<opus:title>Systematic Study of Selected Diagonalization Methods for Configuration Interaction Matrices.</opus:title>
<opus:pages>1574-1589</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1111</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#LeiningerSAS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FlattersZL97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Flatters:Delphine.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zakrzewska:Krystyna.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lavery:Richard.html" />
<opus:title>Internal coordinate modeling of DNA: Force field comparisons.</opus:title>
<opus:pages>1043-1055</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199706)18:8&lt;1043::AID-JCC8&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#FlattersZL97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Schuurmann00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sch=uuml==uuml=rmann:Gerrit.html" />
<opus:title>Prediction of Henry&apos;s law constant of benzene derivatives using quantum chemical continuum-solvation models.</opus:title>
<opus:pages>17-34</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000115)21:1&lt;17::AID-JCC3&gt;3.0.CO;2-5</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#Schuurmann00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HanBLL98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Han:Young=Kyu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bae:Cheolbeom.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Yoon_Sup.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Sang_Yeon.html" />
<opus:title>Spin-orbit effects on structures of closed-shell polyatomic molecules containing heavy atoms calculated by two-component Hartree-Fock method.</opus:title>
<opus:pages>1526-1533</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199810)19:13&lt;1526::AID-JCC9&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#HanBLL98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HarrisH99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harris:Brett_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harvey:Stephen_C=.html" />
<opus:title>Program for analyzing knots represented by polygonal paths.</opus:title>
<opus:pages>813-818</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199906)20:8&lt;813::AID-JCC7&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#HarrisH99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HarrisL96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harris:Dan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Loew:Gilda.html" />
<opus:title>Comparative study of free energies of solvation of phenylimidazole inhibitors of cytochrome P450cam by free energy simulation, AMSOL, and Poisson Boltzmann methods.</opus:title>
<opus:pages>273-288</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199602)17:3&lt;273::AID-JCC2&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#HarrisL96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TiraboschiGGPD00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tiraboschi:Gilles.html" />
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pedersen:Lee_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Deerfield:David_W=.html" />
<opus:title>Parallel ab initio and molecular mechanics investigation of polycoordinated Zn(II) complexes with model hard and soft ligands: Variations of binding energy and of its components with number and charges of ligands.</opus:title>
<opus:pages>1011-1039</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200009)21:12&lt;1011::AID-JCC1&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#TiraboschiGGPD00</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RochaA00">
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<opus:title>Carbonyl insertion reaction into the PtC bond in heterobimetallic Pt(SnCl3)(PH3)2(CO)(CH3) compound: Theoretical study.</opus:title>
<opus:pages>668-674</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200006)21:8&lt;668::AID-JCC6&gt;3.0.CO;2-9</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#RochaA00</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RochaA97">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Almeida:Wagner_B=_De.html" />
<opus:title>Quantum-mechanical and molecular mechanics conformational analysis of 1, 5-cyclooctadiene.</opus:title>
<opus:pages>254-259</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970130)18:2&lt;254::AID-JCC9&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#RochaA97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AmisakiFKMK95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Amisaki:Takashi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fujiwara:Takaji.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kusumi:Akihiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miyagawa:Hiroo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kitamura:Kunihiro.html" />
<opus:title>Error Evaluation in the Disign of a Special-Purpose Processor That Calculates Nonbonded Forces in Molecular Dynamics Simulations.</opus:title>
<opus:pages>1120-1130</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#AmisakiFKMK95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GolsonMM95">
<opus:last_modified_date>2006-01-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Golson:Micahel_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McCammon:James_Andrew.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Madura:Jeffrey_D=.html" />
<opus:title>Molecular Dynamics Simulation with a Comtinuum Electrostatic Model of the Solvent.</opus:title>
<opus:pages>1081-1095</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#GolsonMM95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HanKMS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Han:Kyu=Kwang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kim:Ki_Hae.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mhin:Byung_Jin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Son:Hyeon_S=.html" />
<opus:title>Application of the multiensemble sampling to the hydration free energy.</opus:title>
<opus:pages>1004-1009</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1061</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#HanKMS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Nonella97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nonella:Marco.html" />
<opus:title>Effect of charge distribution on electrostatic chromophore - protein interactions in Bacteriorhodopsin.</opus:title>
<opus:pages>677-693</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970415)18:5&lt;677::AID-JCC8&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Nonella97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/IdaME02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Ida:T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mizuno:M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Endo:K=.html" />
<opus:title>Electronic state of small and large cavities for methane hydrate.</opus:title>
<opus:pages>1071-1075</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10095</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#IdaME02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GohM01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Goh:Sor=Koon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Marynick:Dennis_S=.html" />
<opus:title>Ability of fullerenes to act as 6 ligands in transition metal complexes. A comparative PM3(tm)-density functional theory study.</opus:title>
<opus:pages>1881-1886</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1138</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#GohM01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AbagyanTK94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Abagyan:Ruben.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Totrov:Maxim.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kuznetsov:Dmitry.html" />
<opus:title>ICM - A New Method for Protein Modeling and Design: Applications to Docking and Strucutre Prediction from the Distorted Native Conformation.</opus:title>
<opus:pages>488-506</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#AbagyanTK94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PanLY98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pan:Wei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Tai=Sung.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yang:Weitao.html" />
<opus:title>Parallel implementation of divide-and-conquer semiempirical quantum chemistry calculations.</opus:title>
<opus:pages>1101-1109</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980715)19:9&lt;1101::AID-JCC10&gt;3.0.CO;2-8</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#PanLY98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CohenS94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cohen:Alexander_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schatzmiller:Shimon_E=.html" />
<opus:title>Implementation of Artificial Intelligence for Automatic Drug Design. I. Stepwise Computation of the Interactive Drug-Design Sequence.</opus:title>
<opus:pages>1393-1402</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#CohenS94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CohenS95">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cohen:Alexander_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schatzmiller:Shimon_E=.html" />
<opus:title>Localization and Quantitative Evaluation of Potent Local Binding Sites on the Accessible Lennard-Jones Surface.</opus:title>
<opus:pages>1459-1467</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#CohenS95</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CescoDRPCGA95">
<opus:last_modified_date>2006-04-21</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cesco:Juan_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Denner:Claudia_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rosso:Ana_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/P=eacute=rez:Jorge_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ortiz:F=_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Contreras:Rub=eacute=n_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Giribet:C=_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Az=uacute=a:M=_C=_Ruiz_de.html" />
<opus:title>Numerical Evaluation of Three- and Four- Center Bielectronic Integrals Using Exponential- Type Atomic Orbitals.</opus:title>
<opus:pages>1507-1512</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#CescoDRPCGA95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PerssonBZ00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Persson:Petter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bustad:Johnny.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zerner:Michael_C=.html" />
<opus:title>INDO calculations of small copper clusters and CO adsorbed on copper(100) surfaces.</opus:title>
<opus:pages>1221-1228</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20001115)21:14&lt;1221::AID-JCC1&gt;3.0.CO;2-#</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#PerssonBZ00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Becke99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Becke:Axel_D=.html" />
<opus:title>Exploring the limits of gradient corrections in density functional theory.</opus:title>
<opus:pages>63-69</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990115)20:1&lt;63::AID-JCC8&gt;3.0.CO;2-A</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Becke99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChiuCSJ00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chiu:See=Wing.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Clark:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Subramaniam:Shankar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jakobsson:Eric.html" />
<opus:title>Collective motion artifacts arising in long-duration molecular dynamics simulations.</opus:title>
<opus:pages>121-131</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000130)21:2&lt;121::AID-JCC4&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#ChiuCSJ00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GelderWH01">
<opus:last_modified_date>2004-09-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gelder:Ren=eacute=_de.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wehrens:Ron.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hageman:Jos_A=.html" />
<opus:title>A generalized expression for the similarity of spectra: application to powder diffraction pattern classification.</opus:title>
<opus:pages>273-289</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200102)22:3&lt;273::AID-JCC1001&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#GelderWH01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MarquezD95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/M=aacute=rquez:Antonio_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dupuis:Michel.html" />
<opus:title>Parallel Computation of the MP2 Energy on Distributed Memory Computers.</opus:title>
<opus:pages>395-404</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#MarquezD95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KhandoginHY00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Khandogin:Jana.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hu:Anguang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/York:Darrin_M=.html" />
<opus:title>Electronic structure properties of solvated biomolecules: A quantum approach for macromolecular characterization.</opus:title>
<opus:pages>1562-1571</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200012)21:16&lt;1562::AID-JCC13&gt;3.0.CO;2-E</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#KhandoginHY00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Cai94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cai:Z==L=.html" />
<opus:title>Ab Initio Study of Low-Lying Electronic States of the PF2 Radical.</opus:title>
<opus:pages>345-350</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Cai94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Bou00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bou:Petr.html" />
<opus:title>Comparison of Hartree-Fock and Kohn-Sham determinants as wave functions.</opus:title>
<opus:pages>8-16</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000115)21:1&lt;8::AID-JCC2&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#Bou00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Bou01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bou:Petr.html" />
<opus:title>Computations of the Raman optical activity via the sum-over-states expansions.</opus:title>
<opus:pages>426-435</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200103)22:4&lt;426::AID-JCC1013&gt;3.0.CO;2-#</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Bou01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Hill97">
<opus:last_modified_date>2004-02-19</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hill:J=ouml=rg=R=uuml=diger.html" />
<opus:title>Use of test particle calculations for the derivation of van der Waals parameters used in force fields.</opus:title>
<opus:pages>211-220</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970130)18:2&lt;211::AID-JCC6&gt;3.0.CO;2-Y</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Hill97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BuL00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bu:Yuxiang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Chengbu.html" />
<opus:title>The orientation and distance-dependence analysis of the electron transfer reactivity: An electron correlation level investigation of Mn2+(H2O)2/Mn3+(H2O)2 system.</opus:title>
<opus:pages>1387-1404</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20001130)21:15&lt;1387::AID-JCC6&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#BuL00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Pitarch-RuizSM02">
<opus:last_modified_date>2005-11-16</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruiz:Jos=eacute==Vicente_Pitarch.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/S=aacute=nchez=Mar=iacute=n:Jos=eacute=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maynau:Daniel.html" />
<opus:title>Reducing CAS-SDCI space. Using selected spaces in configuration interaction calculations in an efficient way.</opus:title>
<opus:pages>1157-1165</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10092</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Pitarch-RuizSM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DuA96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Du:Qishi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Arteca:Gustavo_A=.html" />
<opus:title>Derivation of fused-sphere molecular surfaces from properties of the electrostatic potential distribution.</opus:title>
<opus:pages>1258-1268</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960730)17:10&lt;1258::AID-JCC6&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#DuA96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DolneyHWLCT00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dolney:Derek_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hawkins:Gregory_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Winget:Paul.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liotard:Daniel_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cramer:Christopher_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Truhlar:Donald_G=.html" />
<opus:title>Universal solvation model based on conductor-like screening model.</opus:title>
<opus:pages>340-366</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000415)21:5&lt;340::AID-JCC2&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#DolneyHWLCT00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Gao97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gao:Jiali.html" />
<opus:title>Energy components of aqueous solution: Insight from hybrid QM/MM simulations using a polarizable solvent model.</opus:title>
<opus:pages>1061-1071</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199706)18:8&lt;1061::AID-JCC10&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Gao97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TiraboschiFRG01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tiraboschi:Gilles.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fourni=eacute==Zaluski:Marie=Claude.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roques:Bernard=Pierre.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gresh:Nohad.html" />
<opus:title>Intramolecular chelation of Zn2+ by - and -mercaptocarboxamides. A parallel ab initio and polarizable molecular mechanics investigation. Assessment of the role of multipole transferability.</opus:title>
<opus:pages>1038-1047</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1064</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#TiraboschiFRG01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FajardoB97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fajardo:Mario_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Boatz:Jerry_A=.html" />
<opus:title>Monte Carlo simulations of Na atoms in dynamically disordered Ar systems: Solid, liquid, and critical-point fluid Ar.</opus:title>
<opus:pages>381-392</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#FajardoB97</rdfs:seeAlso>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199702)18:3&lt;381::AID-JCC8&gt;3.0.CO;2-Q</opus:ee>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Han01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Han:Young=Kyu.html" />
<opus:title>Density functional studies of AnF6 (An=U, Np, and Pu) and UF6-nCln (n=1-6) using hybrid functionals: geometries and vibrational frequencies.</opus:title>
<opus:pages>2010-2017</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1149</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Han01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AntonyGOHSB02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Antony:Jens.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gresh:Nohad.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Olsen:Lars.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hemmingsen:Lars.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schofield:Christopher_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bauer:Rogert.html" />
<opus:title>Binding of D- and L-captopril inhibitors to metallo--lactamase studied by polarizable molecular mechanics and quantum mechanics.</opus:title>
<opus:pages>1281-1296</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10111</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#AntonyGOHSB02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SvenssonJ95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Svensson:Bo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/J=ouml=nsson:Bo.html" />
<opus:title>An Efficient Simulation Technique for Electrostatic Free Energies with Applications to Azurin.</opus:title>
<opus:pages>370-377</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#SvenssonJ95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SvenssonW96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Svensson:Bo_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Woodward:Clifford_E=.html" />
<opus:title>Constant-NT simulations: Free energy difference method for excess adsorption.</opus:title>
<opus:pages>1156-1162</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960715)17:9&lt;1156::AID-JCC8&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#SvenssonW96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KoF02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Ko:Gwon_Hee.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fink:William_H=.html" />
<opus:title>Rapidly converging lattice sums for nonelectrostatic interactions.</opus:title>
<opus:pages>477-483</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10031</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#KoF02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FattebertG02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fattebert:Jean=Luc.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gygi:Fran=ccedil=ois.html" />
<opus:title>Density functional theory for efficient ab initio molecular dynamics simulations in solution.</opus:title>
<opus:pages>662-666</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10069</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#FattebertG02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiH02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Xiang=Yuan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hu:Chun=Xiu.html" />
<opus:title>Theoretical investigation of electron transfer transition in tetracyanoethylene-contained organic complexes.</opus:title>
<opus:pages>874-886</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10079</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#LiH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiH96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Shusen.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Huang:Ching=Hsien.html" />
<opus:title>Molecular mechanics simulation studies of dienoic hydrocarbons: From alkenes to 1-Palmitoyl-2-linoleoyl-phosphatidylcholines.</opus:title>
<opus:pages>1013-1024</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199606)17:8&lt;1013::AID-JCC10&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#LiH96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiH99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Xiang=Yuan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/He:Fu=Cheng.html" />
<opus:title>Electron transfer between biphenyl and biphenyl anion radicals: Reorganization energies and electron transfer matrix elements.</opus:title>
<opus:pages>597-603</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990430)20:6&lt;597::AID-JCC5&gt;3.0.CO;2-C</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#LiH99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiL01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Xiang=Yuan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Ji=Feng.html" />
<opus:title>A theoretical study of solvent effect and reaction mechanism of electron transfer reaction between indole side chain and phenol side chain of peptide involving tryptophan and tyrosine.</opus:title>
<opus:pages>1067-1081</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1067</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#LiL01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HuOL99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hu:A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Otto:Peter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Ladik:Janos.html" />
<opus:title>Relativistic Gaussian functions for atoms by fitting numerical results with adaptive nonlinear least-square algorithm.</opus:title>
<opus:pages>655-664</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199905)20:7&lt;655::AID-JCC1&gt;3.0.CO;2-#</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#HuOL99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Genest99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Genest:D=.html" />
<opus:title>Correlated motions analysis from molecular dynamics trajectories: Statistical accuracy on the determination of canonical correlation coefficients.</opus:title>
<opus:pages>1571-1576</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991115)20:14&lt;1571::AID-JCC10&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Genest99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MoG00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mo:Yirong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gao:Jiali.html" />
<opus:title>Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: application to an SN2 reaction in water.</opus:title>
<opus:pages>1458-1469</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200012)21:16&lt;1458::AID-JCC4&gt;3.0.CO;2-2</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#MoG00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BergB96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berg:Ulf.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bladh:Nina.html" />
<opus:title>Molecular mechanics calculations of conjugated amides and an ab initio investigation of acrylamide and its -amino derivative: Conformational analysis and rotational barriers.</opus:title>
<opus:pages>396-408</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199603)17:4&lt;396::AID-JCC2&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#BergB96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FerenczyCNA98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Ferenczy:Gy=ouml=rgy_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Csonka:G=aacute=bor_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/N=aacute=ray=Szab=oacute=:G=aacute=bor.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/=/=Aacute=ngy=aacute=n:J=aacute=nos_G=.html" />
<opus:title>Quantum mechanical/molecular mechanical self-consistent Madelung potential method for treatment of polar molecular crystals.</opus:title>
<opus:pages>38-50</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980115)19:1&lt;38::AID-JCC3&gt;3.0.CO;2-#</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#FerenczyCNA98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WangF94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Bringze.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Ford:George_P=.html" />
<opus:title>Atomic Charges Derived from a Fast and Accurate Method for Electrostatic Potentials Based on Modified AM1 Calculations.</opus:title>
<opus:pages>200-207</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#WangF94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WangK01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Junmei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollman:Peter_A=.html" />
<opus:title>Automatic parameterization of force field by systematic search and genetic algorithms.</opus:title>
<opus:pages>1219-1228</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1079</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#WangK01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WangL02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Fan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Lemin.html" />
<opus:title>Analytical energy gradient evaluation in relativistic and nonrelativistic density functional calculations.</opus:title>
<opus:pages>920-927</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10082</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#WangL02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WangP96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Youliang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Poirier:Raymond_A=.html" />
<opus:title>Computational developments in generalized valence bond calculations.</opus:title>
<opus:pages>313-325</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199602)17:3&lt;313::AID-JCC6&gt;3.0.CO;2-Y</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#WangP96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WangP97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Zhiqiang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pachter:Ruth.html" />
<opus:title>Prediction of peptide conformation: The adaptive simulated annealing approach.</opus:title>
<opus:pages>323-329</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199702)18:3&lt;323::AID-JCC3&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#WangP97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Garcia-HernandezLKMR02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Garc=iacute=a=Hern=aacute=ndez:Maite.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lauterbach:Christa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kr=uuml=ger:Sven.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Matveev:Alexei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/R=uuml=sch:Notker.html" />
<opus:title>Comparative study of relativistic density functional methods applied to actinide species AcO22+ and AcF6 for Ac = U, Np.</opus:title>
<opus:pages>834-846</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10056</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Garcia-HernandezLKMR02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/OuC98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ou:Jane_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Shaw_H=.html" />
<opus:title>Molecular dynamics simulation of organic glass formers: I. ortho-terphenyl and 1, 3, 5-tri-naphthyl benzene.</opus:title>
<opus:pages>86-93</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980115)19:1&lt;86::AID-JCC7&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#OuC98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PomelliTC01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pomelli:Christian_Silvio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tomasi:Jacopo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cammi:Roberto.html" />
<opus:title>A Symmetry adapted tessellation of the GEPOL surface: applications to molecular properties in solution.</opus:title>
<opus:pages>1262-1272</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1083</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#PomelliTC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LeonZA02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Le=oacute=n:Salvador.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zanuy:David.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alem=aacute=n:Carlos.html" />
<opus:title>Influence of the presence of small gas molecules in the structure of comblike polyacrylates: A Monte Carlo study.</opus:title>
<opus:pages>685-696</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10062</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#LeonZA02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Rao00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rao:Sreedhara_V=.html" />
<opus:title>Mechanism of some 1: 2 hydrogen transfer reactions through bond variation indices.</opus:title>
<opus:pages>1283-1291</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20001115)21:14&lt;1283::AID-JCC7&gt;3.0.CO;2-6</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#Rao00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CaoLCL96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cao:Xiaoping.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liao:Muzhen.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Xuejun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Bo.html" />
<opus:title>Molecular symmetry and ab initio calculations. II. Symmetry-Matrix and symmetry-Supermatrix in the Dirac-Fock method.</opus:title>
<opus:pages>851-863</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199605)17:7&lt;851::AID-JCC9&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#CaoLCL96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Sun94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sun:H=.html" />
<opus:title>Force Field for Computation of Conformational Energies, Structures, and Vibrational Frequencies of Aromatic Polyesters.</opus:title>
<opus:pages>752-768</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Sun94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BehnejadMN95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Behnejad:H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maghari:A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Najafi:M=.html" />
<opus:title>The Extended Law of Corresponding States and the Intermolecular Potentials for Je-He and Ne-Ne.</opus:title>
<opus:pages>441-444</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#BehnejadMN95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SalznerBM97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Salzner:Ulrike.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bachrach:Steven_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mulhearn:Debbie_C=.html" />
<opus:title>Ab initio investigation of the diels-alder reaction between 2H-phosphole and phosphaethene: A model for phosphole dimerization.</opus:title>
<opus:pages>198-210</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970130)18:2&lt;198::AID-JCC5&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#SalznerBM97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VasilyevP02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vasilyev:Vladislav.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Purisima:Enrico_O=.html" />
<opus:title>A fast pairwise evaluation of molecular surface area.</opus:title>
<opus:pages>737-745</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10035</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#VasilyevP02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WuJ00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wu:Jian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jiang:Yuansheng.html" />
<opus:title>The valence bond calculations for conjugated hydrocarbons having 24-28 -electrons.</opus:title>
<opus:pages>856-869</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20000730)21:10&lt;856::AID-JCC4&gt;3.0.CO;2-7</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#WuJ00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WuS98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wu:Xiong=Wu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sung:Shen=Shu.html" />
<opus:title>Constraint dynamics algorithm for simulation of semiflexible macromolecules.</opus:title>
<opus:pages>1555-1566</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981115)19:14&lt;1555::AID-JCC1&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#WuS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/YeS00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Ye:Yuan=Jie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shen:Ling=Ling.html" />
<opus:title>DFT approach to calculate electronic transfer through a segment of DNA double helix.</opus:title>
<opus:pages>1109-1117</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200009)21:12&lt;1109::AID-JCC7&gt;3.0.CO;2-4</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#YeS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WojciechowskiS02">
<opus:last_modified_date>2003-04-04</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/II:Marek_Wojciechowski.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Skolnick:Jeffrey.html" />
<opus:title>Docking of small ligands to low-resolution and theoretically predicted receptor structures.</opus:title>
<opus:pages>189-197</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1165</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#WojciechowskiS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ItoN01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Ito:Hiroyuki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakatsuji:Hiroshi.html" />
<opus:title>Roles of proteins in the electron transfer in the photosynthetic reaction center of Rhodopseudomonas viridis: bacteriopheophytin to ubiquinone.</opus:title>
<opus:pages>265-272</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200102)22:3&lt;265::AID-JCC1000&gt;3.0.CO;2-4</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#ItoN01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HandyT99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Handy:Nicholas_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tozer:David_J=.html" />
<opus:title>Excitation energies of benzene from Kohn-Sham theory.</opus:title>
<opus:pages>106-113</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990115)20:1&lt;106::AID-JCC11&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#HandyT99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GreatbanksHS97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Greatbanks:Stephen_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hillier:Ian_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sherwood:Paul.html" />
<opus:title>Comparison of embedded cluster models to study zeolite catalysis: Proton transfer reactions in acidic chabazite.</opus:title>
<opus:pages>562-568</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199703)18:4&lt;562::AID-JCC9&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#GreatbanksHS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ApostolS99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Apostol:Izydor.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Szpankowski:Wojciech.html" />
<opus:title>Indexing and mapping of proteins using a modified nonlinear Sammon projection.</opus:title>
<opus:pages>1049-1059</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990730)20:10&lt;1049::AID-JCC7&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#ApostolS99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/QuappHIH98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/q/Quapp:Wolfgang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirsch:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Imig:Olaf.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Heidrich:Dietmar.html" />
<opus:title>Searching for saddle points of potential energy surfaces by following a reduced gradient.</opus:title>
<opus:pages>1087-1100</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980715)19:9&lt;1087::AID-JCC9&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#QuappHIH98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/EngelD99">
<opus:last_modified_date>2005-03-01</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Engel:Eberhard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dreizler:Reiner_M=.html" />
<opus:title>From explicit to implicit density functionals.</opus:title>
<opus:pages>31-50</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990115)20:1&lt;31::AID-JCC6&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#EngelD99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MelendezGDS00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mel=eacute=ndez:Fco=_Javier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gallego=Luxan:B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Demaison:Jean.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smeyers:Yves_G=.html" />
<opus:title>Ab initio determination of the infrared phosphine torsion spectrum in vinylphosphine with ZPE correction.</opus:title>
<opus:pages>1167-1175</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200010)21:13&lt;1167::AID-JCC5&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#MelendezGDS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DerepasSBDM02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Derepas:A==L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Soudan:J==M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brenner:V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dognon:J==P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Milli=eacute=:Ph=.html" />
<opus:title>Can we understand the different coordinations and structures of closed-shell metal cation-water clusters?</opus:title>
<opus:pages>1013-1030</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10063</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#DerepasSBDM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VriesDJRDMT95">
<opus:last_modified_date>2006-10-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vries:A=_H=_de.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Duijnen:Piet_Th=_van.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Juffer:A=_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rullmann:J=_A=_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dijkmann:J=_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Merenga:H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thole:B=_Theo.html" />
<opus:title>Implementation of Reaction Field Methods in Quantum Chemistry Computer Codes.</opus:title>
<opus:pages>37-55</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#VriesDJRDMT95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BuhlKMM99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/B=uuml=hl:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kaupp:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Malkina:Olga_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Malkin:Vladimir_G=.html" />
<opus:title>The DFT route to NMR chemical shifts.</opus:title>
<opus:pages>91-105</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990115)20:1&lt;91::AID-JCC10&gt;3.0.CO;2-C</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#BuhlKMM99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CammiT95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cammi:Roberto.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tomasi:Jacopo.html" />
<opus:title>Remarks on the Use of the Apparent Surface Charges /ASC) Methods in Solvation Problems: Iterative versus Matrix-Inversion Procedures and the Renormalization of the Apparent Charges.</opus:title>
<opus:pages>1449-1458</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#CammiT95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Khan95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Khan:Lawrence_M=_Pratt_Ishrat_M=.html" />
<opus:title>A Density Functional Treatment of Organolithium Compounds: Comparison to Ab Initio, Semiempirical, and Epreimental Results.</opus:title>
<opus:pages>1067-1080</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#Khan95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ScheragaPLLCRWA02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pillardy:Jaroslaw.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liwo:Adam.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Jooyoung.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Czaplewski:Cezary.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ripoll:Daniel_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wedemeyer:William_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Arnautova:Yelena_A=.html" />
<opus:title>Evolution of physics-based methodology for exploring the conformational energy landscape of proteins.</opus:title>
<opus:pages>28-34</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1154</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#ScheragaPLLCRWA02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TonioloP01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Toniolo:A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Persico:M=.html" />
<opus:title>Efficient calculation of Franck-Condon factors and vibronic couplings in polyatomics.</opus:title>
<opus:pages>968-975</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1057</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#TonioloP01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GuYTJS98">
<opus:last_modified_date>2004-09-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gu:Feng_Long.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yang:Xiaomei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tang:Au=Chin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jiao:Haijun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schleyer:Paul_von_Ragu=eacute=.html" />
<opus:title>Structure and stability of B+13 clusters.</opus:title>
<opus:pages>203-214</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980130)19:2&lt;203::AID-JCC13&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#GuYTJS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JugW00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jug:Karl.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wichmann:Daniel.html" />
<opus:title>MSINDO study of large silsesquioxanes.</opus:title>
<opus:pages>1549-1553</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200012)21:16&lt;1549::AID-JCC11&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#JugW00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KovacsKCH96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kov=aacute=cs:Attila.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kolossv=aacute=ry:Istv=aacute=n.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Csonka:G=aacute=bor_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hargittai:Istv=aacute=n.html" />
<opus:title>Theoretical study of intramolecular hydrogen bonding and molecular geometry of 2-trifluoromethylphenol.</opus:title>
<opus:pages>1804-1819</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199612)17:16&lt;1804::AID-JCC2&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#KovacsKCH96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TatewakiKSM96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tatewaki:Hiroshi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Katsuki:Shinichi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sakai:Yoshiko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miyoshi:Eisaku.html" />
<opus:title>Applications of spectral-Representation model as a potential method for Cu clusters.</opus:title>
<opus:pages>1056-1067</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199606)17:8&lt;1056::AID-JCC13&gt;3.0.CO;2-C</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#TatewakiKSM96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LeMK01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Le:Trung_Ngoc.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mebel:Alexander_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kaiser:Ralf_I=.html" />
<opus:title>Ab initio study of C4H3 potential energy surface and reaction of ground-state carbon atom with propargyl radical.</opus:title>
<opus:pages>1522-1535</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1105</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#LeMK01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FreindorfG96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Freindorf:Marek.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gao:Jiali.html" />
<opus:title>Optimization of the Lennard-Jones parameters for a combined ab initio quantum mechanical and molecular mechanical potential using the 3-21G basis set.</opus:title>
<opus:pages>386-395</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199603)17:4&lt;386::AID-JCC1&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#FreindorfG96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiuDTFS02a">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Jian=Jun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Ding:Yi=Hong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tao:Yu=Guo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Feng:Ji=Kang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sun:Chia=Chung.html" />
<opus:title>Theoretical study on the mechanism of the 3CH2 + NO2 reaction.</opus:title>
<opus:pages>1031-1044</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10075</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#LiuDTFS02a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/StefanovC95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stefanov:Boris_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cieslowski:Jerzy.html" />
<opus:title>Ann Efficient Approach to Calculation of Zero-Flux Atimic Surfaces and Generation of Atimic Intergration Data.</opus:title>
<opus:pages>1394-1404</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#StefanovC95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Kohn99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kohn:Walter.html" />
<opus:title>Thoughts about density functional theory in 1998.</opus:title>
<opus:pages>1</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990115)20:1&lt;1::AID-JCC2&gt;3.0.CO;2-8</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Kohn99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FourreSCS99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fourr=eacute=:Isabelle.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Silvi:Bernard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chaquin:Patrick.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sevin:Alain.html" />
<opus:title>Electron localization function comparative study of ground state, triplet state, radical anion, and cation in model carbonyl and imine compounds.</opus:title>
<opus:pages>897-910</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990715)20:9&lt;897::AID-JCC1&gt;3.0.CO;2-4</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#FourreSCS99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiCA94">
<opus:last_modified_date>2005-06-15</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Fanbing.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cui:Weili.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:title>Expanding Molecular Dynamics Simulations to the NMR Time Scale. I. Studies of Conformational Interconversions of 1, 1-Difluoro-4.4-Dimethylcycloheptane Using MM3-MD.</opus:title>
<opus:pages>769-781</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#LiCA94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiLD98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Zhenqin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Laidig:Keith_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Daggett:Valerie.html" />
<opus:title>Conformational search using a molecular dynamics-minimization procedure: Applications to clusters of coulombic charges, Lennard-Jones particles, and waters.</opus:title>
<opus:pages>60-70</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980115)19:1&lt;60::AID-JCC5&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#LiLD98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiMJ02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Shuhua.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Ma:Jing.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jiang:Yuansheng.html" />
<opus:title>Linear scaling local correlation approach for solving the coupled cluster equations of large systems.</opus:title>
<opus:pages>237-244</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10003</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#LiMJ02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MoscardoPC98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Moscard=oacute=:F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/P=eacute=rez=Jim=eacute=nez:Angel_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cjuno:J=_Am=eacute=rico.html" />
<opus:title>Self-consistent field calculations using two-body density functionals for correlation energy component: II. Small molecules.</opus:title>
<opus:pages>1899-1908</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199812)19:16&lt;1899::AID-JCC10&gt;3.0.CO;2-A</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#MoscardoPC98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HolstS95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Holst:Michael_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Saied:Faisal.html" />
<opus:title>Numerical Solution of t he Nonlinear Poisson-Blotzmann Equation: Developing More Robust and Efficient Methods.</opus:title>
<opus:pages>337-364</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#HolstS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiiA98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lii:Jenn=Huei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:title>Directional hydrogen bonding in the MM3 force field: II.</opus:title>
<opus:pages>1001-1016</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980715)19:9&lt;1001::AID-JCC2&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#LiiA98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MaLA00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Ma:Buyong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lii:Jenn=Huei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:title>Molecular polarizabilities and induced dipole moments in molecular mechanics.</opus:title>
<opus:pages>813-825</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20000730)21:10&lt;813::AID-JCC1&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#MaLA00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LinW94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lin:Ching=Lung.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wood:Robert_H=.html" />
<opus:title>Free Energy of Solvation of a Small Lennard-Jones Particle.</opus:title>
<opus:pages>149-154</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#LinW94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiuA94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Ruifeng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:title>Molecular Mechanics (MM3) Calculations on Alkyl Radicals.</opus:title>
<opus:pages>283-299</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#LiuA94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiuF02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Wenjian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Franke:Robert.html" />
<opus:title>Comprehensive relativistic ab initio and density functional theory studies on PtH, PtF, PtCl, and Pt(NH3)2Cl2.</opus:title>
<opus:pages>564-575</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10030</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#LiuF02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiuN01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Chao=Ping.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Neto:J=_J=_Soares.html" />
<opus:title>Revisiting the generator coordinate approximation for calculating the ro-vibrational energies of H.</opus:title>
<opus:pages>2028-2039</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1151</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#LiuN01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiuP99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Shubin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Parr:Robert_G=.html" />
<opus:title>Consequences for exchange energy density functional of exponentially decaying nature of atomic electron densities.</opus:title>
<opus:pages>2-11</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990115)20:1&lt;2::AID-JCC3&gt;3.0.CO;2-2</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#LiuP99</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiuS94">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Haiyan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shi:Yunyu.html" />
<opus:title>Combined Molecular Mechanical and Quantum Mechanical Potential Study of a Nucleophilic Addition Reaction in Solution.</opus:title>
<opus:pages>1311-1318</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#LiuS94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BredowGJ01a">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bredow:Thomas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Geudtner:Gerald.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jug:Karl.html" />
<opus:title>MSINDO parameterization for third-row transition metals.</opus:title>
<opus:pages>861-887</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1051</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#BredowGJ01a</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KonkoliCK97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Konkoli:Zoran.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cremer:Dieter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kraka:Elfi.html" />
<opus:title>Diabatic ordering of vibrational normal modes in reaction valley studies.</opus:title>
<opus:pages>1282-1294</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970730)18:10&lt;1282::AID-JCC3&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#KonkoliCK97</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CieplakCK01">
<opus:last_modified_date>2006-05-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cieplak:Piotr.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Caldwell:James.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollman:Peter_A=.html" />
<opus:title>Molecular mechanical models for organic and biological systems going beyond the atom centered two body additive approximation: aqueous solution free energies of methanol and N-methyl acetamide, nucleic acid base, and amide hydrogen bonding and chloroform/water partition coefficients of the nucleic acid bases.</opus:title>
<opus:pages>1048-1057</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1065</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#CieplakCK01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BlackPZL96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Black:Delbert_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Parker:Craig_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zimmerman:S=_Scott.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Milton_L=.html" />
<opus:title>Enantioselective binding of -pinene and of some cyclohexanetriol derivatives by cyclodextrin hosts: A molecular modeling study.</opus:title>
<opus:pages>931-939</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199606)17:8&lt;931::AID-JCC2&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#BlackPZL96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CombaR02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Comba:Peter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Remenyi:Rainer.html" />
<opus:title>A new molecular mechanics force field for the oxidized form of blue copper proteins.</opus:title>
<opus:pages>697-705</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10084</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#CombaR02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AntosiewiczBEGM96">
<opus:last_modified_date>2006-01-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Antosiewicz:Jan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Briggs:James_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Elcock:Adrian_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gilson:Michael_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McCammon:James_Andrew.html" />
<opus:title>Computing ionization states of proteins with a detailed charge model.</opus:title>
<opus:pages>1633-1644</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19961115)17:14&lt;1633::AID-JCC5&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#AntosiewiczBEGM96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HigoYHTEN94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Higo:Junichi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yamaki:Mariko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hogyoku:Michiru.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Takahashi:Takuya.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Endo:Shigeru.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nagayama:Kuniaki.html" />
<opus:title>Stability of Two-Dimensional Crystalline Aggregates of a PRotein Studied by Molecular Dynamics.</opus:title>
<opus:pages>1278-1290</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#HigoYHTEN94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WeiserWSS98a">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weiser:J=ouml=rg.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weiser:Armin_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shenkin:Peter_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Still:W=_Clark.html" />
<opus:title>Neighbor-list reduction: Optimization for computation of molecular van der Waals and solvent-accessible surface areas.</opus:title>
<opus:pages>1110</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980715)19:9&lt;1110::AID-JCC11&gt;3.0.CO;2-9</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#WeiserWSS98a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ScarsiC99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scarsi:Marco.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Caflisch:Amedeo.html" />
<opus:title>Comment on the validation of continuum electrostatics models.</opus:title>
<opus:pages>1533-1536</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991115)20:14&lt;1533::AID-JCC6&gt;3.0.CO;2-3</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#ScarsiC99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TomimotoGW96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tomimoto:Masaki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Go:Nobuhiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wako:Hiroshi.html" />
<opus:title>Conformational analysis of nucleic acid molecules with flexible furanose rings in dihedral angle space.</opus:title>
<opus:pages>910-917</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199605)17:7&lt;910::AID-JCC14&gt;3.0.CO;2-E</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#TomimotoGW96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Crippen95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Crippen:Gordon_M=.html" />
<opus:title>Intervals and the Deduction of Drug Binding Site Models.</opus:title>
<opus:pages>486-500</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#Crippen95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Crippen99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Crippen:Gordon_M=.html" />
<opus:title>VRI: 3D QSAR at variable resolution.</opus:title>
<opus:pages>1577-1585</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991115)20:14&lt;1577::AID-JCC11&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Crippen99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SanchezMEV00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/S=aacute=nchez:M=_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mart=iacute=n:M=_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Espinosa:Manuel_Angel_Aguilar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Valle:Francisco_Javier_Olivares_del.html" />
<opus:title>Solvent effects by means of averaged solvent electrostatic potentials: Coupled method.</opus:title>
<opus:pages>705-715</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000715)21:9&lt;705::AID-JCC1&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#SanchezMEV00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RoccatanoBCSN98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roccatano:D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bizzarri:R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chillemi:G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sanna:N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nola:A=_Di.html" />
<opus:title>Development of a parallel molecular dynamics code on SIMD computers: Algorithm for use of pair list criterion.</opus:title>
<opus:pages>685-694</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199805)19:7&lt;685::AID-JCC1&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#RoccatanoBCSN98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SunojLRC01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sunoj:R=_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lakshminarasimhan:P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ramamurthy:V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chandrasekhar:J=.html" />
<opus:title>Configuration interaction and density functional study of the influence of lithium cation complexation on vertical and adiabatic excitation energies of enones.</opus:title>
<opus:pages>1598-1604</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1113</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#SunojLRC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SchaferGM99">
<opus:last_modified_date>2004-12-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sch=auml=fer:Heiko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gunsteren:Wilfred_F=_van.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mark:Alan_E=.html" />
<opus:title>Estimating relative free energies from a single ensemble: Hydration free energies.</opus:title>
<opus:pages>1604-1617</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991130)20:15&lt;1604::AID-JCC2&gt;3.0.CO;2-A</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#SchaferGM99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ParuselSK98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Parusel:Andreas_B=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schamschule:Rudolf.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/K=ouml=hler:Gottfried.html" />
<opus:title>Theoretical description of solvent effects on fluorescence spectra of bulky charge transfer compound DMA-DMPP.</opus:title>
<opus:pages>1584-1595</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981115)19:14&lt;1584::AID-JCC4&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#ParuselSK98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SchulmanD98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schulman:Jerome_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Disch:Raymond_L=.html" />
<opus:title>Bowl-shaped hydrocarbons related to C60.</opus:title>
<opus:pages>189-194</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980130)19:2&lt;189::AID-JCC11&gt;3.0.CO;2-D</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#SchulmanD98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WanWXS97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wan:Shun_Zhou.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Cun_Xin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xiang:Zhe_Xin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shi:Yun_Yu.html" />
<opus:title>Stochastic dynamics simulation of alanine dipeptide: Including solvation interaction determined by boundary element method.</opus:title>
<opus:pages>1440-1449</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199709)18:12&lt;1440::AID-JCC2&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#WanWXS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LuSY02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lu:Qingzhang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shen:Guoli.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yu:Ruqin.html" />
<opus:title>Genetic training of network using chaos concept: Application to QSAR studies of vibration modes of tetrahedral halides.</opus:title>
<opus:pages>1357-1365</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10149</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#LuSY02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ValleHV99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Valle:Raffaele_Guido_Della.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Halonen:Lauri.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Venuti:Elisabetta.html" />
<opus:title>Molecular anharmonicity: A computer-aided treatment.</opus:title>
<opus:pages>1716-1730</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199912)20:16&lt;1716::AID-JCC4&gt;3.0.CO;2-1</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#ValleHV99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BofillC95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bofill:Josep_Maria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Comajuan:M=oacute=nica.html" />
<opus:title>Analysis of the Updated Hessian Matrices for Locating Transition Strucutres.</opus:title>
<opus:pages>1326-1338</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#BofillC95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Luke94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luke:Brian_T=.html" />
<opus:title>&lt;sub&gt;3&lt;/sub&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;sub&gt;2&lt;/sub&gt;OH: A Comparison of Theoretical Methods.</opus:title>
<opus:pages>1176-1185</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Luke94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TheryRRMF94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Th=eacute=ry:Vincent.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rinaldi:Daniel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rivail:Jean=Louis.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maigret:Bernard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Ferenczy:Gy=ouml=rgy_G=.html" />
<opus:title>Quantum Mechanical Computations on Very Large Molecular Systems: The Local Self-Consistent Field Method.</opus:title>
<opus:pages>269-282</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#TheryRRMF94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Marynick97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Marynick:Dennis_S=.html" />
<opus:title>Accurate molecular electrostatic potentials based on modified PRDDO/M wave functions. I. Electrostatic potential derived atomic charges.</opus:title>
<opus:pages>955-969</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199705)18:7&lt;955::AID-JCC7&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Marynick97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Marynick98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Marynick:Dennis_S=.html" />
<opus:title>Accurate molecular electrostatic potentials based on modified PRDDO/M wave functions: III. Extension of the PESP method for calculation of electrostatic potential-derived atomic charges to compounds containing Li+, Na+, Mg2+, K+, Ca2+, Zn2+, and I.</opus:title>
<opus:pages>1456-1469</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199810)19:13&lt;1456::AID-JCC3&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#Marynick98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WalkerMMJP95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Walker:P=_Duane.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mezey:Paul_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maggiora:Gerald_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Johnson:Mark_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Petke:James_D=.html" />
<opus:title>Application of the Shape Group Method to Conformation Processes: Shape and Conjugation Changes in the Conformers of 2-Phenyl Pyrimidine.</opus:title>
<opus:pages>1474-1482</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#WalkerMMJP95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChoiRG01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Choi:Cheol_Ho.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruedenberg:Klaus.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gordon:Mark_S=.html" />
<opus:title>New parallel optimal-parameter fast multipole method (OPFMM).</opus:title>
<opus:pages>1484-1501</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1102</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#ChoiRG01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/OnoNHN00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ono:Satoshi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakajima:Nobuyuki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Higo:Junichi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakamura:Haruki.html" />
<opus:title>Peptide free-energy profile is strongly dependent on the force field: Comparison of C96 and AMBER95.</opus:title>
<opus:pages>748-762</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000715)21:9&lt;748::AID-JCC4&gt;3.0.CO;2-2</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#OnoNHN00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MoritaS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Morita:Shoji.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sakai:Shogo.html" />
<opus:title>IMiCMO: a new integrated ab initio multicenter molecular orbitals method for molecular dynamics calculations in solvent cluster systems.</opus:title>
<opus:pages>1107-1112</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1070</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#MoritaS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Neto94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Neto:Joaquim_Jos=eacute=_Soares.html" />
<opus:title>Parallel Algorithm for Calculating Ro-Vibrational States of Diatomic Molecules.</opus:title>
<opus:pages>144-148</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Neto94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Berces97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/B=eacute=rces:Attila.html" />
<opus:title>Geometry optimization of metal complexes using natural internal coordinates: Representation of skeletal degrees of freedom.</opus:title>
<opus:pages>45-55</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970115)18:1&lt;45::AID-JCC5&gt;3.0.CO;2-#</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Berces97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SefcikDCG02">
<opus:last_modified_date>2004-02-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sefcik:Jan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Demiralp:Ersan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/=/=Ccedil=agin:Tahir.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/III:William_A=_Goddard.html" />
<opus:title>Dynamic Charge Equilibration-Morse stretch force field: Application to energetics of pure silica zeolites.</opus:title>
<opus:pages>1507-1514</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10130</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#SefcikDCG02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AiharaOYO96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Aihara:Jun=Ichi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oe:Sumio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yoshida:Mitsuho.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Osawa:Eiji.html" />
<opus:title>Further test of the isolated pentagon rule: Thermodynamic and kinetic stabilities of C84 fullerene isomers.</opus:title>
<opus:pages>1387-1394</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199609)17:12&lt;1387::AID-JCC1&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#AiharaOYO96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RankinB01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rankin:Kathryn_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Boyd:Russell_J=.html" />
<opus:title>A density functional theory study of the dimers of HX (X = F, Cl, and Br).</opus:title>
<opus:pages>1590-1597</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1112</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#RankinB01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BosqueM00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bosque:Ram=oacute=n.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maseras:Feliu.html" />
<opus:title>Performance of the semiempirical PM3 (tm) method in the geometry optimization of transition metal complexes.</opus:title>
<opus:pages>562-571</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200005)21:7&lt;562::AID-JCC5&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#BosqueM00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JanezicK95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Janezic:Dusanka.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karplus:Martin.html" />
<opus:title>Harmonic Analysis of Large Systems. II. Comaprison of Different Protein Models.</opus:title>
<opus:pages>1543-1553</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#JanezicK95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HardyP94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hardy:Barry_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pastor:Richard_W=.html" />
<opus:title>Conformational Sampling of Hydrocarbon and Lipid Chains in an Orienting Potential.</opus:title>
<opus:pages>208-226</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#HardyP94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WangCK00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Junmei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cieplak:Piotr.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollman:Peter_A=.html" />
<opus:title>How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?</opus:title>
<opus:pages>1049-1074</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200009)21:12&lt;1049::AID-JCC3&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#WangCK00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GhomiVH94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Ghomi:Mahmoud.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Victor:Jean=Marc.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Henriet:Charles.html" />
<opus:title>Monte Carlo Simulations on Short Single-Stranded Oligonucleotides. I. Application to RNA Trimers.</opus:title>
<opus:pages>433-445</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#GhomiVH94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WangHP02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Bing.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hinton:James_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pulay:Peter.html" />
<opus:title>Accurate prediction of proton chemical shifts. II. Peptide analogues.</opus:title>
<opus:pages>492-497</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10044</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#WangHP02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WangLL01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Li_Jie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Se.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Qian_Shu.html" />
<opus:title>Theoretical studies on a possible synthesis reaction pathway on N8 (CS) clusters.</opus:title>
<opus:pages>1334-1339</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1091</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#WangLL01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RipollPGSL95">
<opus:last_modified_date>2005-11-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ripoll:Daniel_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pottle:Marcia_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gibson:Kenneth_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liwo:Adam.html" />
<opus:title>Implementation of the ECEPP Algorithm, the Monte Carlo Minimization Method, and the Electrostatically Driven Monte Carlo Method on the Kendall Square Research KSR1 Computer.</opus:title>
<opus:pages>1153-1163</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#RipollPGSL95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Ferguson95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Ferguson:David_M=.html" />
<opus:title>Parameterization and Evaluation of a Flexible Water Model.</opus:title>
<opus:pages>501-511</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#Ferguson95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiwoPWROS97">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liwo:Adam.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pincus:Matthew_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wawak:Ryszard_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rackovsky:Shelly.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oldziej:Stanislaw.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:title>A united-residue force field for off-lattice protein-structure simulations. II. Parameterization of short-range interactions and determination of weights of energy terms by Z-score optimization.</opus:title>
<opus:pages>874-887</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199705)18:7&lt;874::AID-JCC2&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#LiwoPWROS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Wiberg99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wiberg:Kenneth_B=.html" />
<opus:title>Comparison of density functional theory models&apos; ability to reproduce experimental 13C-NMR shielding values.</opus:title>
<opus:pages>1299-1303</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199909)20:12&lt;1299::AID-JCC10&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Wiberg99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HigoSWN01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Higo:Junichi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sugimoto:Yasunobu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wakabayashi:Katsuzo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakamura:Haruki.html" />
<opus:title>Collective motions of myosin head derived from backbone molecular dynamics and combination with X-ray solution scattering data.</opus:title>
<opus:pages>1983-1994</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1147</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#HigoSWN01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MeirovitchM97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Meirovitch:Hagai.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Meirovitch:Eva.html" />
<opus:title>Efficiency of monte carlo minimization procedures and their use in analysis of NMR data obtained from flexible peptides.</opus:title>
<opus:pages>240-253</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970130)18:2&lt;240::AID-JCC8&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#MeirovitchM97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/EckertPW97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eckert:Frank.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pulay:Peter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Werner:Hans=Joachim.html" />
<opus:title>Ab initio geometry optimization for large molecules.</opus:title>
<opus:pages>1473-1483</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199709)18:12&lt;1473::AID-JCC5&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#EckertPW97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ShepardSL02">
<opus:last_modified_date>2004-12-02</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shepard:Ron_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shavitt:Isaiah.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lischka:Hans.html" />
<opus:title>Reducing I/O costs for the eigenvalue procedure in large-scale configuration interaction calculations.</opus:title>
<opus:pages>1121-1125</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10022</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#ShepardSL02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Purisima98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Purisima:Enrico_O=.html" />
<opus:title>Fast summation boundary element method for calculating solvation free energies of macromolecules.</opus:title>
<opus:pages>1494-1504</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199810)19:13&lt;1494::AID-JCC6&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#Purisima98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KneislerA96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kneisler:John_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:title>Ab initio and density functional theory study of structures and energies for dimethoxymethane as a model for the anomeric effect.</opus:title>
<opus:pages>757-766</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199605)17:7&lt;757::AID-JCC1&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#KneislerA96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HuoMK02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Huo:Shuanghong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Massova:Irina.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollman:Peter_A=.html" />
<opus:title>Computational alanine scanning of the 1: 1 human growth hormone-receptor complex.</opus:title>
<opus:pages>15-27</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1153</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#HuoMK02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HuntC96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hunt:Nathan_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cohen:Fred_E=.html" />
<opus:title>Fast lookup tables for interatomic interactions.</opus:title>
<opus:pages>1857-1862</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199612)17:16&lt;1857::AID-JCC6&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#HuntC96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LeonAEL01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Le=oacute=n:Salvador.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alem=aacute=n:Carlos.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Escal=eacute=:Francesc.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Laso:Manuel.html" />
<opus:title>MCDP: an advanced tool to simulate comb-like polymers.</opus:title>
<opus:pages>162-171</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010130)22:2&lt;162::AID-JCC3&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#LeonAEL01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CaiZM98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cai:Wensheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Maosen.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maigret:Bernard.html" />
<opus:title>New approach for representation of molecular surface.</opus:title>
<opus:pages>1805-1815</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199812)19:16&lt;1805::AID-JCC2&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#CaiZM98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/McDowell96">
<opus:last_modified_date>2004-02-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McDowell:Sean_A=_C=.html" />
<opus:title>Dipole moment derivatives and integrated intensities for the vibrational transitions of N2 HF.</opus:title>
<opus:pages>1339-1343</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199608)17:11&lt;1339::AID-JCC6&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#McDowell96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/McDowell97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McDowell:Sean_A=_C=.html" />
<opus:title>Relation of the force constant of a bond to the electric field at a nucleus.</opus:title>
<opus:pages>1664-1667</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199710)18:13&lt;1664::AID-JCC8&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#McDowell97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AhlrichsT02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Ahlrichs:Reinhart.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tsereteli:Kakha.html" />
<opus:title>Efficient linear algebra routines for symmetric matrices stored in packed form.</opus:title>
<opus:pages>306-309</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10027</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#AhlrichsT02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HartPP00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hart:Reece_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pappu:Rohit_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Ponder:Jay_W=.html" />
<opus:title>Exploring the similarities between potential smoothing and simulated annealing.</opus:title>
<opus:pages>531-552</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200005)21:7&lt;531::AID-JCC3&gt;3.0.CO;2-C</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#HartPP00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SwartDS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Swart:Marcel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Duijnen:Piet_Th=_van.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Snijders:Jaap_G=.html" />
<opus:title>A charge analysis derived from an atomic multipole expansion.</opus:title>
<opus:pages>79-88</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010115)22:1&lt;79::AID-JCC8&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#SwartDS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Hartke99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hartke:Bernd.html" />
<opus:title>Global cluster geometry optimization by a phenotype algorithm with Niches: Location of elusive minima, and low-order scaling with cluster size.</opus:title>
<opus:pages>1752-1759</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199912)20:16&lt;1752::AID-JCC7&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Hartke99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LeungS98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leung:Simon_Shun=Wang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Streitwieser:Andrew.html" />
<opus:title>Theoretical study of structure of alkali metal cyanates and isocyanates and their related ion pair SN2 reactions.</opus:title>
<opus:pages>1325-1336</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199809)19:12&lt;1325::AID-JCC1&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#LeungS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Gronbech-JensenD94">
<opus:last_modified_date>2005-04-20</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gr=oslash=nbech=Jensen:Niels.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Doniach:Sebastian.html" />
<opus:title>Long Time Overdamped Langevin Dynamics of Molecular Chains.</opus:title>
<opus:pages>997-1012</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Gronbech-JensenD94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZhexinFYY95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhexin:Xiang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fuhua:Huang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yunyu:Shi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yinwu:Xu.html" />
<opus:title>Incorporating the Protein-Dipole Langevin-Dipole Model into Tanford-Kirkwood Theory.</opus:title>
<opus:pages>1468-1473</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#ZhexinFYY95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KauppMM99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kaupp:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Malkina:Olga_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Malkin:Vladimir_G=.html" />
<opus:title>The role of -type nonbonding orbitals for spin-orbit induced NMR chemical shifts: DFT study of 13C and 19F shifts in the series CF3IFn (n=0, 2, 4, 6).</opus:title>
<opus:pages>1304-1313</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199909)20:12&lt;1304::AID-JCC11&gt;3.0.CO;2-6</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#KauppMM99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Pinak01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pinak:Miroslav.html" />
<opus:title>Molecular dynamics simulation of thymine glycol-lesioned DNA reveals specific hydration at the lesion.</opus:title>
<opus:pages>1723-1731</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1127</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Pinak01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/IkegamiI02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Ikegami:Tsutomu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Iwata:Suehiro.html" />
<opus:title>Spectral density calculation by using the Chebyshev expansion.</opus:title>
<opus:pages>310-318</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10010</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#IkegamiI02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HobzaSR95">
<opus:last_modified_date>2004-12-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hobza:Pavel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sponer:Jir=iacute=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reschel:Tomas.html" />
<opus:title>Density Functional Theory and Moleculer Clusters.</opus:title>
<opus:pages>1315-1325</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#HobzaSR95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Morita02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Morita:Akihiro.html" />
<opus:title>Water polarizability in condensed phase: Ab initio evaluation by cluster approach.</opus:title>
<opus:pages>1466-1471</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10169</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Morita02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MestersS95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mesters:Jordi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scuseria:Gustavo_E=.html" />
<opus:title>Genetic Algorithms: A Robust Scheme for Geometry Optimizations and Global Minimum Structure Problems.</opus:title>
<opus:pages>729-742</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#MestersS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/OttM96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ott:Karl=Heinz.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Meyer:Bernd.html" />
<opus:title>Parametrization of GROMOS force field for oligosaccharides and assessment of efficiency of molecular dynamics simulations.</opus:title>
<opus:pages>1068-1084</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199606)17:8&lt;1068::AID-JCC14&gt;3.0.CO;2-A</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#OttM96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MezaJFT96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Meza:Juan_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Judson:Richard_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Faulkner:T=_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Treasurywala:Adi_M=.html" />
<opus:title>A comparison of a direct search method and a genetic algorithm for conformational searching.</opus:title>
<opus:pages>1142-1151</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960715)17:9&lt;1142::AID-JCC6&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#MezaJFT96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PavankumarSYSRH99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pavankumar:P=_N=_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Seetharamulu:Peddaiahgari.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yao:S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Saxe:Jeffrey_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reddy:Dasharatha_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hausheer:Frederick_H=.html" />
<opus:title>Comprehensive ab initio quantum mechanical and molecular orbital (MO) analysis of cisplatin: Structure, bonding, charge density, and vibrational frequencies.</opus:title>
<opus:pages>365-382</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199902)20:3&lt;365::AID-JCC8&gt;3.0.CO;2-1</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#PavankumarSYSRH99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ShenkinM94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shenkin:Peter_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McDonald:D=_Quentin.html" />
<opus:title>Cluster Analysis of Molecular Conformations.</opus:title>
<opus:pages>899-916</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#ShenkinM94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SekusakS97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sekusak:Sanja.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sabljic:Aleksandar.html" />
<opus:title>Reactivity of haloethanes with hydroxyl radicals: Effects of basis set and correlation energy on reaction energetics.</opus:title>
<opus:pages>1190-1199</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970715)18:9&lt;1190::AID-JCC7&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#SekusakS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BubelDW00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bubel:Robert_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Douglass:Warthen.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/White:David_P=.html" />
<opus:title>Molecular mechanics-based measures of steric effects: Customized code to compute Ligand repulsive energies.</opus:title>
<opus:pages>239-246</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200002)21:3&lt;239::AID-JCC7&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#BubelDW00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WongWF95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wong:Ming_Wah.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wiberg:Kenneth_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Frisch:Michael_J=.html" />
<opus:title>Ab Initio Calculation of Molar Volumes: Compariso with Experiment and Use in Solvation Models.</opus:title>
<opus:pages>365-394</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#WongWF95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Alvarez-IdaboyDV98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alvarez=Idaboy:J=_Ra=uacute=l.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/D=iacute=az=Acosta:Irina.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vivier=Bunge:Annik.html" />
<opus:title>Energetics of mechanism of OH-propene reaction at low pressures in inert atmosphere.</opus:title>
<opus:pages>811-819</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199806)19:8&lt;811::AID-JCC1&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#Alvarez-IdaboyDV98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HauckM01">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mika:K=.html" />
<opus:title>Ground-state structures of polymers.</opus:title>
<opus:pages>1944-1955</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1144</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#HauckM01</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PerczelC00">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cs=aacute=sz=aacute=r:Attila_G=.html" />
<opus:title>Toward direct determination of conformations of protein building units from multidimensional NMR experiments I. A theoretical case study of For-Gly-NH2 and For-L-Ala-NH2.</opus:title>
<opus:pages>882-900</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20000730)21:10&lt;882::AID-JCC6&gt;3.0.CO;2-A</opus:ee>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WedemeyerS99">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:title>Exact analytical loop closure in proteins using polynomial equations.</opus:title>
<opus:pages>819-844</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199906)20:8&lt;819::AID-JCC8&gt;3.0.CO;2-Y</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#WedemeyerS99</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SusnowSO94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Senko:Nancie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ocain:Timothy.html" />
<opus:title>Conformational Sensitivity Analysis of FKBP-FK506/ Rapamycin Complexes.</opus:title>
<opus:pages>1074-1090</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#SusnowSO94</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SusnowSR94">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schutt:Clarence.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rabitz:Herschel.html" />
<opus:title>Principal Component Analysis of Dipeptides.</opus:title>
<opus:pages>963-980</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#SusnowSR94</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PomelliTCB99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pomelli:Christian_Silvio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tomasi:Jacopo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cossi:Maurizio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barone:Vincenzo.html" />
<opus:title>Effective generation of molecular cavities in polarizable continuum model by DefPol procedure.</opus:title>
<opus:pages>1693-1701</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199912)20:16&lt;1693::AID-JCC2&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#PomelliTCB99</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AdamoB00">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barone:Vincenzo.html" />
<opus:title>Structures and properties of lanthanide and actinide complexes by a new density functional approach: Lanthanum, gadolinium, lutetium, and thorium halides as case studies.</opus:title>
<opus:pages>1153-1166</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200010)21:13&lt;1153::AID-JCC4&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#AdamoB00</rdfs:seeAlso>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barone:Vincenzo.html" />
<opus:title>Implementation and validation of the Lacks-Gordon exchange functional in conventional density functional and adiabatic connection methods.</opus:title>
<opus:pages>418-429</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199803)19:4&lt;418::AID-JCC4&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#AdamoB98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZhexinYY95a">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhexin:Xiang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yunyu:Shi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yingwu:Xu.html" />
<opus:title>Calculating the Electric Potential of Macromolecules: A Simple Method for Molecular Surface Triangulation.</opus:title>
<opus:pages>512-516</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#ZhexinYY95a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RaoM94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rao:B=_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Murcko:M=_A=.html" />
<opus:title>Recersed Stereochemical Preference in Binding of Ro31-8959 to HIV-1 Proteinase: A Free Energy Perturbation Analysis.</opus:title>
<opus:pages>1241-1253</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#RaoM94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AlsbergJB96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jensen:Vidar_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/B=oslash=rve:Knut_J=.html" />
<opus:title>Use of multivariate methods in the analysis of calculated reaction pathways.</opus:title>
<opus:pages>1197-1216</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960730)17:10&lt;1197::AID-JCC2&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#AlsbergJB96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Raos00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Raos:Nenad.html" />
<opus:title>Iterative method for finding the low-energy conformations based on the concept of molecular volumes.</opus:title>
<opus:pages>1353-1360</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20001130)21:15&lt;1353::AID-JCC3&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#Raos00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PyeP98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Poirier:Raymond_A=.html" />
<opus:title>Graphical approach for defining natural internal coordinates.</opus:title>
<opus:pages>504-511</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980415)19:5&lt;504::AID-JCC3&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#PyeP98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TakahashiKSMA01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Takahashi:Masae.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kira:Mitsuo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sakamoto:Kenkichi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/M=uuml=ller:Thomas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Apeloig:Yitzhak.html" />
<opus:title>Theoretical prediction of vertical transition energies of diaminosilylenes and aminosubstituted disilenes.</opus:title>
<opus:pages>1536-1541</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1106</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#TakahashiKSMA01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TazartesAC98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tazartes:Claudine_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Anderson:Christopher_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carter:Emily_A=.html" />
<opus:title>Automated selection of optimal Gaussian fits to arbitrary functions in electronic structure theory.</opus:title>
<opus:pages>1300-1314</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199808)19:11&lt;1300::AID-JCC10&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#TazartesAC98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MannforsMPK01">
<opus:last_modified_date>2004-09-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mannfors:Berit.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mirkin:Noemi_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Palm=ouml=:Kim.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Krimm:Samuel.html" />
<opus:title>A polarizable electrostatic model of the N-methylacetamide dimer.</opus:title>
<opus:pages>1933-1943</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1143</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#MannforsMPK01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RenP02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ren:Pengyu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Ponder:Jay_W=.html" />
<opus:title>Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations.</opus:title>
<opus:pages>1497-1506</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10127</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#RenP02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HarrisonGKBWSAHLFNTETSWFLS96">
<opus:last_modified_date>2006-02-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harrison:Robert_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Guest:Martyn_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kendall:Ricky_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bernholdt:David_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wong:Adrian_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stave:Mark.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Anchell:James_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hess:Anthony_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Littlefield:Rik_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fann:George_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nieplocha:Jarek.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thomas:Greg_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Elwood:David.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tilson:Jeffrey_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shepard:Ron_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wagner:Albert_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Foster:Ian_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lusk:Ewing_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stevens:Rick.html" />
<opus:title>Toward high-performance computational chemistry: II. A scalable self-consistent field program.</opus:title>
<opus:pages>124-132</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960115)17:1&lt;124::AID-JCC10&gt;3.0.CO;2</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#HarrisonGKBWSAHLFNTETSWFLS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VincentM95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vincent:James_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jr=:Kenneth_M=_Merz.html" />
<opus:title>A Highly Portable Parallel Implementation of AMBER4 Using the Message Passing Interface Standart.</opus:title>
<opus:pages>1420-1427</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#VincentM95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CampbellDGWYEG96">
<opus:last_modified_date>2004-03-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Campbell:Graham.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Deng:Yuefan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Glimm:James.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Yuan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yu:Qiqing.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eisenberg:Mois=eacute=s.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grollman:Arthur.html" />
<opus:title>Analysis and prediction of hydrogen bonding in protein-DNA complexes using parallel processors.</opus:title>
<opus:pages>1712-1725</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19961130)17:15&lt;1712::AID-JCC3&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#CampbellDGWYEG96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KrakaC01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kraka:Elfi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cremer:Dieter.html" />
<opus:title>The para-didehydropyridine, para-didehydropyridinium, and related biradicals - a contribution to the chemistry of enediyne antitumor drugs.</opus:title>
<opus:pages>216-229</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010130)22:2&lt;216::AID-JCC9&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#KrakaC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RocchiaSNACH02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rocchia:Walter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sridharan:Sundaram.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nicholls:Anthony.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alexov:Emil.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chiabrera:Alessandro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Honig:Barry.html" />
<opus:title>Rapid grid-based construction of the molecular surface and the use of induced surface charge to calculate reaction field energies: Applications to the molecular systems and geometric objects.</opus:title>
<opus:pages>128-137</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1161</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#RocchiaSNACH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Boggs99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Boggs:James_E=.html" />
<opus:title>Guidelines for presentation of methodological choices in the publication of computational results: Ab initio electronic structure calculations.</opus:title>
<opus:pages>1587-1590</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991115)20:14&lt;1587::AID-JCC12&gt;3.0.CO;2-C</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Boggs99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JungMH96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jung:Seunho.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Min:Dugki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hollingsworth:Rawle_I=.html" />
<opus:title>A metropolis Monte Carlo method for analyzing the energetics and dynamics of lipopolysaccharide supramolecular structure and organization.</opus:title>
<opus:pages>238-249</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960130)17:2&lt;238::AID-JCC10&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#JungMH96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Petitjean94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Petitjean:Michel.html" />
<opus:title>On the Analytical Calculation o van der Waals Surfaces and Volumes: Some Numerical Aspects.</opus:title>
<opus:pages>507-523</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Petitjean94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Petitjean95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Petitjean:Michel.html" />
<opus:title>Geometric Molecular Similarity from Volume-Based Distance Minimization Application to Saxitoxin and Tetrodotoxin.</opus:title>
<opus:pages>80-90</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#Petitjean95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DauraMG98">
<opus:last_modified_date>2004-12-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Daura:Xavier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mark:Alan_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gunsteren:Wilfred_F=_van.html" />
<opus:title>Parametrization of aliphatic CHn united atoms of GROMOS96 force field.</opus:title>
<opus:pages>535-547</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980415)19:5&lt;535::AID-JCC6&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#DauraMG98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/EvansT98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Evans:Tom_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Truong:Thanh_N=.html" />
<opus:title>Optimizing efficiency of perturbative Monte Carlo method.</opus:title>
<opus:pages>1632-1638</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981115)19:14&lt;1632::AID-JCC9&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#EvansT98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BohmB95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/B=ouml=hm:Hans=Joachim.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brode:Stefan.html" />
<opus:title>Ab Initio SCF Calculations on Low-Energy Conformers of Cyclohexaglycine.</opus:title>
<opus:pages>146-153</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#BohmB95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BenedettoLSY00">
<opus:last_modified_date>2005-09-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Benedetto:Maria_Domenica_Di.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lucibello:Pasquale.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sangiovanni=Vincentelli:Alberto_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yamaguchi:K=.html" />
<opus:title>A new procedure for exact ring closure.</opus:title>
<opus:pages>870-881</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20000730)21:10&lt;870::AID-JCC5&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#BenedettoLSY00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DallosLMHQ02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dallos:Michal.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lischka:Hans.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Monte:Elizete_Ventura_Do.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirsch:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/q/Quapp:Wolfgang.html" />
<opus:title>Determination of energy minima and saddle points using multireference configuration interaction methods in combination with reduced gradient following: The S0 surface of H2CO and the T1 and T2 surfaces of acetylene.</opus:title>
<opus:pages>576-583</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10054</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#DallosLMHQ02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MalcolmM94a">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Malcolm:Nathaniel_O=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McDouall:Joseph_J=_W=.html" />
<opus:title>A Variational Biothogonal Valence Bond Descriptions of 1, 3-Dipoles.</opus:title>
<opus:pages>1357-1364</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#MalcolmM94a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FrenchD94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/French:Alfred_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dowd:Michael_K=.html" />
<opus:title>Analysis of the Ring-Form Tautomers of Psicose with MM3(92).</opus:title>
<opus:pages>561-570</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#FrenchD94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BoneV97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bone:Richard_G=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Villar:Hugo_O=.html" />
<opus:title>Exhaustive enumeration of molecular substructures.</opus:title>
<opus:pages>86-107</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970115)18:1&lt;86::AID-JCC9&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#BoneV97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SenN99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sen:Srikanta.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nilsson:Lennart.html" />
<opus:title>Some practical aspects of free energy calculations from molecular dynamics simulation.</opus:title>
<opus:pages>877-885</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199906)20:8&lt;877::AID-JCC12&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#SenN99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TangZX01a">
<opus:last_modified_date>2004-12-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tang:Pei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zubryzcki:Igor.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xu:Yan.html" />
<opus:title>Ab initio calculation of structures and properties of halogenated general anesthetics: halothane and sevoflurane.</opus:title>
<opus:pages>802</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1044</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#TangZX01a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/EngelsenPBP95">
<opus:last_modified_date>2003-07-14</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Engelsen:S=oslash=ren_Balling.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/P=eacute=rez:Serge.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Braccini:Isabelle.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Penhoat:Catherine_Herv=eacute=_du.html" />
<opus:title>Internal Motions of Carbohydrates as PRobed by Comparative Molecular Modeling and Nuclear Magnetic Resonance of Ethyl beta-Lactoside.</opus:title>
<opus:pages>1096-1119</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#EngelsenPBP95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KumarRBSK95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kumar:Shankar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rosenberg:John_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bouzida:Djamal.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Swendsen:Robert_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollman:Peter_A=.html" />
<opus:title>Multidimensional Free-Energy Calculations Using the Weighted Histogram Analysis Method.</opus:title>
<opus:pages>1339-1350</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#KumarRBSK95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TuzunNS00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tuzun:Robert_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Noid:Donald_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sumpter:Bobby_G=.html" />
<opus:title>Computation of internal coordinates, derivatives, and gradient expressions: torsion and improper torsion.</opus:title>
<opus:pages>553-561</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200005)21:7&lt;553::AID-JCC4&gt;3.0.CO;2-1</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#TuzunNS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TuzunNS97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tuzun:Robert_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Noid:Donald_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sumpter:Bobby_G=.html" />
<opus:title>Treatment of multibody interactions in molecular simulations of systems with general bond networks.</opus:title>
<opus:pages>1513-1522</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199709)18:12&lt;1513::AID-JCC8&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#TuzunNS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GrantGP96">
<opus:last_modified_date>2006-10-05</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grant:J=_Andrew.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gallardo:M=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pickup:Barry_T=.html" />
<opus:title>A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape.</opus:title>
<opus:pages>1653-1666</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19961115)17:14&lt;1653::AID-JCC7&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#GrantGP96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CumminsG94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cummins:Peter_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gready:Jill_E=.html" />
<opus:title>Thermodynamic Integration Calculations on the Relative Free Energies of Complex Ions in Aqueous Solution: Application to Ligands of Dihydrofolate Reductace.</opus:title>
<opus:pages>704-718</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#CumminsG94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CumminsG96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cummins:Peter_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gready:Jill_E=.html" />
<opus:title>Solvent effects in active-site molecular dynamics simulations on the binding of 8-methyl-N5-deazapterin and 8-methylpterin to dihydrofolate reductase.</opus:title>
<opus:pages>1598-1611</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19961115)17:14&lt;1598::AID-JCC2&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#CumminsG96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CumminsG97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cummins:Peter_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gready:Jill_E=.html" />
<opus:title>Coupled semiempirical molecular orbital and molecular mechanics model (QM/MM) for organic molecules in aqueous solution.</opus:title>
<opus:pages>1496-1512</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199709)18:12&lt;1496::AID-JCC7&gt;3.0.CO;2-E</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#CumminsG97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CumminsG98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cummins:Peter_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gready:Jill_E=.html" />
<opus:title>Molecular dynamics and free energy perturbation study of hydride-ion transfer step in dihydrofolate reductase using combined quantum and molecular mechanical model.</opus:title>
<opus:pages>977-988</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199806)19:8&lt;977::AID-JCC15&gt;3.0.CO;2-4</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#CumminsG98</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cummins:Peter_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gready:Jill_E=.html" />
<opus:title>Coupled semiempirical quantum mechanics and molecular mechanics (QM/MM) calculations on the aqueous solvation free energies of ionized molecules.</opus:title>
<opus:pages>1028-1038</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990730)20:10&lt;1028::AID-JCC5&gt;3.0.CO;2-7</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#CumminsG99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GrantPN01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grant:J=_Andrew.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pickup:Barry_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nicholls:Anthony.html" />
<opus:title>A smooth permittivity function for Poisson-Boltzmann solvation methods.</opus:title>
<opus:pages>608-640</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1032</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#GrantPN01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AlhambraG00">
<opus:last_modified_date>2004-11-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alhambra:Crist=oacute=bal.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gao:Jiali.html" />
<opus:title>Hydrogen-bonding interactions in the active site of a low molecular weight protein-tyrosine phosphatase.</opus:title>
<opus:pages>1192-1203</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200010)21:13&lt;1192::AID-JCC8&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#AlhambraG00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ProftAPLG02">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Proft:Frank_De.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alsenoy:Christian_Van.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Peeters:Anik.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Langenaeker:Wilfried.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Geerlings:Paul.html" />
<opus:title>Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron density.</opus:title>
<opus:pages>1198-1209</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10067</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#ProftAPLG02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BruccoleriNDS97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bruccoleri:Robert_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Novotny:Jiri.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Davis:Malcolm_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sharp:Kim_A=.html" />
<opus:title>Finite difference Poisson-Boltzmann electrostatic calculations: Increased accuracy achieved by harmonic dielectric smoothing and charge antialiasing.</opus:title>
<opus:pages>268-276</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970130)18:2&lt;268::AID-JCC11&gt;3.0.CO;2-E</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#BruccoleriNDS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FieldABMT00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Field:Martin_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Albe:Marc.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bret:C=eacute=line.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Martin:Flavien_Proust=De.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thomas:Aline.html" />
<opus:title>The dynamo library for molecular simulations using hybrid quantum mechanical and molecular mechanical potentials.</opus:title>
<opus:pages>1088-1100</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200009)21:12&lt;1088::AID-JCC5&gt;3.0.CO;2-8</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#FieldABMT00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GironesRC01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Giron=eacute=s:Xavier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Robert:David.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carb=oacute==Dorca:Ramon.html" />
<opus:title>TGSA: A molecular superposition program based on topo-geometrical considerations.</opus:title>
<opus:pages>255-263</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010130)22:2&lt;255::AID-JCC12&gt;3.0.CO;2-2</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#GironesRC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FukayaOA98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fukaya:Haruhiko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ono:Taizo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Abe:Takashi.html" />
<opus:title>Theoretical study of reaction of trifluoromethyl radical with hydroxyl and hydrogen radicals.</opus:title>
<opus:pages>277-289</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199802)19:3&lt;277::AID-JCC2&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#FukayaOA98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChasmanBWF98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chasman:David.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Beachy:Michael_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Limin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Friesner:Richard_A=.html" />
<opus:title>Parallel pseudospectral electronic structure: I. Hartree-Fock calculations.</opus:title>
<opus:pages>1017-1029</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980715)19:9&lt;1017::AID-JCC3&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#ChasmanBWF98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Bernal-UruchurtuMMR00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bernal=Uruchurtu:Margarita_Isabel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Martins=Costa:Marilia_T=_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Millot:Claude.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruiz=L=oacute=pez:Manuel_F=.html" />
<opus:title>Improving description of hydrogen bonds at the semiempirical level: water-water interactions as test case.</opus:title>
<opus:pages>572-581</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200005)21:7&lt;572::AID-JCC6&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#Bernal-UruchurtuMMR00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Yoshioki02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yoshioki:Shuzo.html" />
<opus:title>Dynamics of a protein and water molecules surrounding the protein: Hydrogen-bonding between vibrating water molecules and a fluctuating protein.</opus:title>
<opus:pages>402-413</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1170</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Yoshioki02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Yoshioki94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yoshioki:Shuzo.html" />
<opus:title>Internal Dynamics of a Global Protein under External Force Field.</opus:title>
<opus:pages>684-703</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Yoshioki94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Yoshioki96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yoshioki:Shuzo.html" />
<opus:title>Internal dynamics of a globular protein in water.</opus:title>
<opus:pages>878-887</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199605)17:7&lt;878::AID-JCC11&gt;3.0.CO;2-7</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#Yoshioki96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TaiA98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tai:Julia_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:title>Effect of inclusion of electron correlation in MM3 studies of cyclic conjugated compounds.</opus:title>
<opus:pages>475-487</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980415)19:5&lt;475::AID-JCC1&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#TaiA98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GagliardiBE97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gagliardi:Laura.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bendazzoli:Gian_Luigi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Evangelisti:Stefano.html" />
<opus:title>Direct-list algorithm for configuration interaction calculations.</opus:title>
<opus:pages>1329-1343</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199708)18:11&lt;1329::AID-JCC1&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#GagliardiBE97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SmedarchinaFS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smedarchina:Zorka.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fern=aacute=ndez=Ramos:Antonio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Siebrand:Willem.html" />
<opus:title>DOIT: a program to calculate thermal rate constants and mode-specific tunneling splittings directly from quantum-chemical calculations.</opus:title>
<opus:pages>787-801</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1043</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#SmedarchinaFS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/YoungTRB97">
<opus:last_modified_date>2004-11-16</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Young:L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Topol:Igor_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rashin:A=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Burt:Stanley_K=.html" />
<opus:title>Building molecular charge distributions from fragments: Application to HIV-1 protease inhibitors.</opus:title>
<opus:pages>522-532</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199703)18:4&lt;522::AID-JCC6&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#YoungTRB97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BenziISB02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Benzi:Caterina.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Improta:Roberto.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scalmani:Giovanni.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barone:Vincenzo.html" />
<opus:title>Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution.</opus:title>
<opus:pages>341-350</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10015</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#BenziISB02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KoehlerV00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Koehler:Ryan_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Villar:Hugo_O=.html" />
<opus:title>Design of screening libraries biased for pharmaceutical discovery.</opus:title>
<opus:pages>1145-1152</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200010)21:13&lt;1145::AID-JCC3&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#KoehlerV00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MoretPBM98">
<opus:last_modified_date>2005-03-10</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Moret:M=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pascutti:Pedro_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bisch:Paulo_Mascarello.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mundim:Kleber_C=.html" />
<opus:title>Stochastic molecular optimization using generalized simulated annealing.</opus:title>
<opus:pages>647-657</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980430)19:6&lt;647::AID-JCC6&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#MoretPBM98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VaartGDJ00">
<opus:last_modified_date>2004-02-20</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vaart:Arjan_van_der.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gogonea:Valentin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dixon:Steven_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jr=:Kenneth_M=_Merz.html" />
<opus:title>Linear scaling molecular orbital calculations of biological systems using the semiempirical divide and conquer method.</opus:title>
<opus:pages>1494-1504</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200012)21:16&lt;1494::AID-JCC6&gt;3.0.CO;2-4</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#VaartGDJ00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiwoDJNOW97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liwo:Adam.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dyl:Dariusz.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jeziorek:Danuta.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nowacka:Magorzata.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ossowski:Tadeusz.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wonicki:Wiesaw.html" />
<opus:title>MCSCF study of singlet oxygen addition to ethenol - a model of photooxidation reactions of unsaturated and aromatic compounds bearing hydroxy groups.</opus:title>
<opus:pages>1668-1681</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#LiwoDJNOW97</rdfs:seeAlso>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199710)18:13&lt;1668::AID-JCC9&gt;3.0.CO;2-P</opus:ee>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Kutzelnigg99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kutzelnigg:Werner.html" />
<opus:title>Relativistic corrections to magnetic properties.</opus:title>
<opus:pages>1199-1219</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199909)20:12&lt;1199::AID-JCC2&gt;3.0.CO;2-8</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Kutzelnigg99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CossiMPT98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cossi:Maurizio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mennucci:Benedetta.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pitarch:Jesus.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tomasi:Jacopo.html" />
<opus:title>Correction of cavity-induced errors in polarization charges of continuum solvation models.</opus:title>
<opus:pages>833-846</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199806)19:8&lt;833::AID-JCC3&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#CossiMPT98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CostaM94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Costa:Hebert_F=_M=_da.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Micha:David_A=.html" />
<opus:title>Atomic Orbital Basis Sets for Molecular Interactions.</opus:title>
<opus:pages>653-661</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#CostaM94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CostaT97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Costa:Maria_Cristina_Andreazza.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Takahata:Yuji.html" />
<opus:title>Conformational analysis of synthetic neolignans active against leishmaniasis, using the molecular mechanics method (MM2).</opus:title>
<opus:pages>712-721</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970415)18:5&lt;712::AID-JCC11&gt;3.0.CO;2-E</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#CostaT97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MayerM00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mayer:Bernd.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Marconi:Giancarlo.html" />
<opus:title>Circular dichroic constrained structure optimization of homoalanine peptides.</opus:title>
<opus:pages>270-281</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200003)21:4&lt;270::AID-JCC3&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#MayerM00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MurphyPF00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Murphy:Robert_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Philipp:Dean_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Friesner:Richard_A=.html" />
<opus:title>A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments.</opus:title>
<opus:pages>1442-1457</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200012)21:16&lt;1442::AID-JCC3&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#MurphyPF00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SantamariaCZC99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Santamaria:R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Charro:E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zacar=iacute=as:A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Castro:M=.html" />
<opus:title>Vibrational spectra of nucleic acid bases and their Watson-Crick pair complexes.</opus:title>
<opus:pages>511-530</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990415)20:5&lt;511::AID-JCC4&gt;3.0.CO;2-8</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#SantamariaCZC99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SunK95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sun:Yaxiong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollman:Peter_A=.html" />
<opus:title>Hydrophobic Solvation of Methane and Nonbond Parameters of the TIP3P Water Model.</opus:title>
<opus:pages>1164-1169</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#SunK95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Borras-AlmenarCCT01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Borr=aacute=s=Almenar:J=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Clemente=Juan:J=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Coronado:E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tsukerblat:B=_S=.html" />
<opus:title>MAGPACK1 A package to calculate the energy levels, bulk magnetic properties, and inelastic neutron scattering spectra of high nuclearity spin clusters.</opus:title>
<opus:pages>985-991</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1059</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Borras-AlmenarCCT01</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DavidLG00">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/David:Laurent.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luo:Ray.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gilson:Michael_K=.html" />
<opus:title>Comparison of generalized born and poisson models: Energetics and dynamics of HIV protease.</opus:title>
<opus:pages>295-309</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200003)21:4&lt;295::AID-JCC5&gt;3.0.CO;2-8</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#DavidLG00</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TreasurywalaJP96">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Peterson:Melissa_L=.html" />
<opus:title>Conformational searching methods for small molecules. III. Study of stochastic methods available in SYBYL and MACROMODEL.</opus:title>
<opus:pages>1171-1182</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960715)17:9&lt;1171::AID-JCC10&gt;3.0.CO;2-A</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#TreasurywalaJP96</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/StahlBS99">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bur:Daniel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schneider:Gisbert.html" />
<opus:title>Mapping of proteinase active sites by projection of surface-derived correlation vectors.</opus:title>
<opus:pages>336-347</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199902)20:3&lt;336::AID-JCC5&gt;3.0.CO;2-A</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#StahlBS99</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FurukiSI95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sakurai:Minoru.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Inoue:Yoshio.html" />
<opus:title>An Application of the Reaction Field Theory to Hydrated Metal Cations in the Framework of the MNDO, AM1, and OM3 Methods.</opus:title>
<opus:pages>378-384</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#FurukiSI95</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FenleyOCB96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fenley:Marcia_O=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Olson:Wilma_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chua:Kiat.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Boschitsch:Alexander_H=.html" />
<opus:title>Fast adaptive multipole method for computation of electrostatic energy in simulations of polyelectrolyte DNA.</opus:title>
<opus:pages>976-991</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199606)17:8&lt;976::AID-JCC7&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#FenleyOCB96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/StampfussWK99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wenzel:Wolfgang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Keiter:Hellmut.html" />
<opus:title>The parallel implementation of configuration-selecting multireference configuration interaction method.</opus:title>
<opus:pages>1559-1570</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991115)20:14&lt;1559::AID-JCC9&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#StampfussWK99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChunPCWKASBBCNHF00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chun:Hon_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Padilla:Carlos_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chin:Donovan_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Watanabe:Masakatsu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karlov:Valeri_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alper:Howard_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Soosaar:Keto.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Blair:Kim_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Becker:Oren_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Caves:Leo_S=_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nagle:Robert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Haney:David_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Farmer:Barry_L=.html" />
<opus:title>MBO(N)D: A multibody method for long-time molecular dynamics simulations.</opus:title>
<opus:pages>159-184</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200002)21:3&lt;159::AID-JCC1&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#ChunPCWKASBBCNHF00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NielsenS95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nielsen:Ida_M=_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Seidl:Edward_T=.html" />
<opus:title>Parallel Direct Implementations of Second-Order Perturbation Theories.</opus:title>
<opus:pages>1301-1314</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#NielsenS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/El-BergmiDPM00">
<opus:last_modified_date>2006-10-25</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/El=Bergmi:Redouan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jimez:Jos=eacute=_Antonio_Dobado.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Portal:Dolores.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Molina:Jos=eacute=_Molina.html" />
<opus:title>Stabilization in neutral bicyclic sulfoxide compounds.</opus:title>
<opus:pages>322-327</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200003)21:4&lt;322::AID-JCC7&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#El-BergmiDPM00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JacqueminCADO02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jacquemin:Denis.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Champagne:Beno=icirc=t.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Andr=eacute=:Jean=Marie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Deumens:Erik.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/=/=Ouml=hrn:Yngve.html" />
<opus:title>Integral algorithm and density matrix integration scheme for ab initio band structure calculations on polymeric systems.</opus:title>
<opus:pages>1430-1444</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10146</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#JacqueminCADO02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KrissinelA96">
<opus:last_modified_date>2006-07-10</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Krissinel:Evgeny_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Agmon:Noam.html" />
<opus:title>Spherical symmetric diffusion problem.</opus:title>
<opus:pages>1085-1098</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960715)17:9&lt;1085::AID-JCC1&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#KrissinelA96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BekkerBG95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bekker:H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berendesen:H=_J=_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gunsteren:W=_F=_Van.html" />
<opus:title>Force and Cirial of Torsional-Angle-Dependent Potentials.</opus:title>
<opus:pages>527-533</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#BekkerBG95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Ishida02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Ishida:Kazuhiro.html" />
<opus:title>Accompanying coordinate expansion formulas derived with the solid harmonic gradient.</opus:title>
<opus:pages>378-393</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10016</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Ishida02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Ishida98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Ishida:Kazuhiro.html" />
<opus:title>Rapid algorithm for computing the electron repulsion integral over higher order Gaussian-type orbitals: Accompanying coordinate expansion method.</opus:title>
<opus:pages>923-934</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199806)19:8&lt;923::AID-JCC11&gt;3.0.CO;2-8</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#Ishida98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FoloppeM00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Foloppe:Nicolas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jr=:Alexander_D=_MacKerell.html" />
<opus:title>All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target data.</opus:title>
<opus:pages>86-104</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000130)21:2&lt;86::AID-JCC2&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#FoloppeM00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JursicZ96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jursic:Branko_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zdravkovski:Zoran.html" />
<opus:title>An ab initio study of heterodienophiles addition to 2, 3-diaza-1, 3-butadiene: An example of endo-lone-pair effect on the reaction energy barrier.</opus:title>
<opus:pages>298-305</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199602)17:3&lt;298::AID-JCC4&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#JursicZ96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PotterKCM99">
<opus:last_modified_date>2006-01-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Potter:Michael_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kirchhoff:Paul_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carlson:Heather_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McCammon:James_Andrew.html" />
<opus:title>Molecular dynamics of cryptophane and its complexes with tetramethylammonium and neopentane using a continuum solvent model.</opus:title>
<opus:pages>956-970</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990715)20:9&lt;956::AID-JCC7&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#PotterKCM99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DavilaC02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/D=aacute=vila:L=_Y=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Caldas:M=_J=.html" />
<opus:title>Applicability of MNDO techniques AM1 and PM3 to ring-structured polymers.</opus:title>
<opus:pages>1135-1142</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10103</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#DavilaC02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Masamura01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Masamura:Masao.html" />
<opus:title>Ab initio molecular orbital study of OH-(H2O)n in the gas phase.</opus:title>
<opus:pages>31-37</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010115)22:1&lt;31::AID-JCC4&gt;3.0.CO;2-E</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Masamura01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AyalaS00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Ayala:Philippe_Y=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scuseria:Gustavo_E=.html" />
<opus:title>Electron correlation in large molecular systems using the atomic orbital formalism. The case of intermolecular interactions in crystalline urea as an example.</opus:title>
<opus:pages>1524-1531</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200012)21:16&lt;1524::AID-JCC9&gt;3.0.CO;2-#</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#AyalaS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VasilkoskiW00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vasilkoski:Zlatko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weaver:David_L=.html" />
<opus:title>A generator of protein folding kinetics states for the diffusion-collision model.</opus:title>
<opus:pages>923-932</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200008)21:11&lt;923::AID-JCC2&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#VasilkoskiW00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChanP98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chan:Shek_Ling.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Purisima:Enrico_O=.html" />
<opus:title>Molecular surface generation using marching tetrahedra.</opus:title>
<opus:pages>1268-1277</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199808)19:11&lt;1268::AID-JCC6&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#ChanP98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HinsenR97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hinsen:Konrad.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roux:Beno=icirc=t.html" />
<opus:title>A potential function for computer simulation studies of proton transfer in acetylacetone.</opus:title>
<opus:pages>368-380</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199702)18:3&lt;368::AID-JCC7&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#HinsenR97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GuarnieriS94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Guarnieri:Frank.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Still:W=_Clark.html" />
<opus:title>A Rapidly Convergent Simulation Method: Mixed Monte Carlo/Stochastic Dynamics.</opus:title>
<opus:pages>1302-1310</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#GuarnieriS94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GuarnieriW95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Guarnieri:Frank.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wilson:Stephen_R=.html" />
<opus:title>&lt;sub&gt;4&lt;/sub&gt;.</opus:title>
<opus:pages>648-653</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#GuarnieriW95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NorrbyWAM95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Norrby:Per=Ola.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/W=auml=rnmark:Kenneth.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/=/=Acirc=kermark:Bj=ouml=rn.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Moberg:Christina.html" />
<opus:title>Unusual Conformational-Determining Interactions in Oxymethylpyridines: An Ab Initio Study and an Improved Method for Refining Molecular Mechanics Parameters.</opus:title>
<opus:pages>620-627</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#NorrbyWAM95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LuqueBO94">
<opus:last_modified_date>2004-09-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luque:F=_Javier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bachs:Margarida.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Orozco:Modesto.html" />
<opus:title>An Optimized AM1/MST Method for the MST-SCRF Representation of Solvated Systems.</opus:title>
<opus:pages>847-857</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#LuqueBO94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChenC98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Erh=Hao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chang:Tse=Chiang.html" />
<opus:title>Photoelectron spectra, penning ionization electron spectra, and character of canonical molecular orbitals.</opus:title>
<opus:pages>882-892</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199806)19:8&lt;882::AID-JCC7&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#ChenC98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BliznyukG96a">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bliznyuk:Andrey_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gready:Jill_E=.html" />
<opus:title>Numerical calculation of molecular surface area. II. Speed of calculation.</opus:title>
<opus:pages>970-975</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199606)17:8&lt;970::AID-JCC6&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#BliznyukG96a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChenT99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Xin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tropsha:Alexander.html" />
<opus:title>Generalized linear response method: Application to hydration free energy calculations.</opus:title>
<opus:pages>749-759</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199906)20:8&lt;749::AID-JCC1&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#ChenT99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Abu-AwwadP00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Abu=Awwad:Fakhr.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Politzer:Peter.html" />
<opus:title>Variation of parameters in Becke-3 hybrid exchange-correlation functional.</opus:title>
<opus:pages>227-238</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200002)21:3&lt;227::AID-JCC6&gt;3.0.CO;2-A</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#Abu-AwwadP00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ArulmozhirajaSY01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Arulmozhiraja:Sundaram.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sato:Tadatake.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yabe:Akira.html" />
<opus:title>Benzdiynes revisited: ab initio and density functional theory.</opus:title>
<opus:pages>923-930</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1055</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#ArulmozhirajaSY01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CoutyH96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Couty:Marc.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hall:Michael_B=.html" />
<opus:title>Basis sets for transition metals: Optimized outer p functions.</opus:title>
<opus:pages>1359-1370</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199608)17:11&lt;1359::AID-JCC9&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#CoutyH96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HenchmanE99a">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Henchman:Richard_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Essex:Jonathan_W=.html" />
<opus:title>Free energies of hydration using restrained electrostatic potential derived charges via free energy perturbations and linear response.</opus:title>
<opus:pages>499-510</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990415)20:5&lt;499::AID-JCC3&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#HenchmanE99a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GrabuledaJK00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grabuleda:Xavier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jaime:Carlos.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollman:Peter_A=.html" />
<opus:title>Molecular dynamics simulation studies of liquid acetonitrile: New six-site model.</opus:title>
<opus:pages>901-908</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20000730)21:10&lt;901::AID-JCC7&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#GrabuledaJK00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Wang97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Cheuk=San.html" />
<opus:title>Efficient algorithm for conformational search of macrocyclic molecules.</opus:title>
<opus:pages>277-289</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970130)18:2&lt;277::AID-JCC12&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Wang97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Brotherus99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brotherus:Robert.html" />
<opus:title>Infia - program for rotational analysis of linear molecule spectra.</opus:title>
<opus:pages>610-622</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990430)20:6&lt;610::AID-JCC7&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Brotherus99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LeeKLLL97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Doyoung.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kim:Chang_Kon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Bon=Su.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Ikchoon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Byung_Choon.html" />
<opus:title>A theoretical study on keto-enol tautomerization involving simple carbonyl derivatives.</opus:title>
<opus:pages>56-69</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970115)18:1&lt;56::AID-JCC6&gt;3.0.CO;2-Z</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#LeeKLLL97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChoRP97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cho:Soo_Gyeong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rim:One_Kwon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Park:Gyoosoon.html" />
<opus:title>Rotational barriers of disilane, hexafluorodisilane, and hexamethyldisilane: Ab initio, density functional, and molecular mechanics (MM3) studies.</opus:title>
<opus:pages>1523-1533</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199709)18:12&lt;1523::AID-JCC9&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#ChoRP97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BredowGJ01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bredow:Thomas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Geudtner:Gerald.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jug:Karl.html" />
<opus:title>Development of the cyclic cluster approach for ionic systems.</opus:title>
<opus:pages>89-101</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010115)22:1&lt;89::AID-JCC9&gt;3.0.CO;2-7</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#BredowGJ01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NorinderS98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Norinder:Ulf.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Svensson:Peter.html" />
<opus:title>Descriptors for amino acids using MolSurf parametrization.</opus:title>
<opus:pages>51-59</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980115)19:1&lt;51::AID-JCC4&gt;3.0.CO;2-Y</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#NorinderS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Rauhut96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rauhut:Guntram.html" />
<opus:title>Combined ab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide.</opus:title>
<opus:pages>1848-1856</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199612)17:16&lt;1848::AID-JCC5&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#Rauhut96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WongH95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wong:Adrian_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harrison:Robert_J=.html" />
<opus:title>Approaches to Large-Scale Parallel Self-Consisten Field Calculations.</opus:title>
<opus:pages>1291-1300</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#WongH95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JakalianBJB00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jakalian:Araz.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bush:Bruce_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jack:David_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bayly:Christopher_I=.html" />
<opus:title>Fast, efficient generation of high-quality atomic charges. AM1-BCC model: I. Method.</opus:title>
<opus:pages>132-146</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000130)21:2&lt;132::AID-JCC5&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#JakalianBJB00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SmithBB02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:Grant_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Borodin:Oleg.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bedrov:Dmitry.html" />
<opus:title>A revised quantum chemistry-based potential for poly(ethylene oxide) and its oligomers in aqueous solution.</opus:title>
<opus:pages>1480-1488</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10166</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#SmithBB02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KawataM00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kawata:Masaaki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mikami:Masuhiro.html" />
<opus:title>Computationally efficient canonical molecular dynamics simulations by using a multiple time-step integrator algorithm combined with the particle mesh Ewald method and with the fast multipole method.</opus:title>
<opus:pages>201-217</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200002)21:3&lt;201::AID-JCC4&gt;3.0.CO;2-#</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#KawataM00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Delley96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Delley:Bernard.html" />
<opus:title>High order integration schemes on the unit sphere.</opus:title>
<opus:pages>1152-1155</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960715)17:9&lt;1152::AID-JCC7&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#Delley96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MalcolmM94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Malcolm:Nathaniel_O=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McDouall:Joseph_J=_W=.html" />
<opus:title>A Variational Biothogonal Valence Bond Method.</opus:title>
<opus:pages>1357-1364</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#MalcolmM94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VarnekHWC98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Varnek:Alexandre.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Helissen:Severine.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wipff:Georges.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Collet:Andr=eacute=.html" />
<opus:title>van der Waals host-guest complexes: Can one predict complexation selectivity of neutral guests by a cryptophane? MD-FEP studies in gas phase and chloroform solution.</opus:title>
<opus:pages>820-832</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199806)19:8&lt;820::AID-JCC2&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#VarnekHWC98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BaumannMD99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baumann:Harold.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Martin:Rainer_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Diederich:Fran=ccedil=ois.html" />
<opus:title>PM3 geometry optimization and CNDO/S-CI computation of UV/Vis spectra of large organic structures: Program description and application to poly(triacetylene) hexamer and taxotere.</opus:title>
<opus:pages>396-411</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199903)20:4&lt;396::AID-JCC2&gt;3.0.CO;2-9</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#BaumannMD99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BruniLF02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bruni:Aline_Tha=iacute=s.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leite:Vitor_B=_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Ferreira:M=aacute=rcia_M=_C=.html" />
<opus:title>Conformational analysis: A new approach by means of chemometrics.</opus:title>
<opus:pages>222-236</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10004</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#BruniLF02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RamirezHN94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ram=iacute=rez:Francisco_Javier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hern=aacute=ndez:V=iacute=ctor.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Navarrete:Juan_Teodomiro_L=oacute=pez.html" />
<opus:title>Transferable Semiempirical Quadratic Force Fields: The Case of Polythiophene and Shorter Oligomers.</opus:title>
<opus:pages>405-423</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#RamirezHN94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Jursic96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jursic:Branko_S=.html" />
<opus:title>Density functional Gaussian-type orbital approach in theoretical study of S2F2 isomerization.</opus:title>
<opus:pages>835-840</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199605)17:7&lt;835::AID-JCC7&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#Jursic96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Hinsen00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hinsen:Konrad.html" />
<opus:title>The molecular modeling toolkit: A new approach to molecular simulations.</opus:title>
<opus:pages>79-85</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000130)21:2&lt;79::AID-JCC1&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#Hinsen00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Ganda-KesumaM94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Ganda=Kesuma:Fransiska_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miller:Kenneth_J=.html" />
<opus:title>Linear Dependency in the Refinement of Force Constants with the Jacobian Method.</opus:title>
<opus:pages>1291-1301</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Ganda-KesumaM94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GastreichM98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gastreich:Marcus.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Marian:Christel_M=.html" />
<opus:title>Ab initio prediction of 15N-NMR chemical shift in -boron nitride based on an analysis of connectivities.</opus:title>
<opus:pages>716-725</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199805)19:7&lt;716::AID-JCC3&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#GastreichM98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Prall01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Prall:Matthias.html" />
<opus:title>Software news and commentsVMD: a graphical tool for the modern chemists.</opus:title>
<opus:pages>132-134</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010115)22:1&lt;132::AID-JCC13&gt;3.0.CO;2-Y</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Prall01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BofillMAI00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bofill:Josep_Maria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Moreira:Ib=eacute=rio_de_Pinho_Ribeiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Anglada:Josep_Maria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Illas:Francesc.html" />
<opus:title>Accurate and efficient determination of higher roots in diagonalization of large matrices based in function restricted optimization algorithms.</opus:title>
<opus:pages>1375-1386</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20001130)21:15&lt;1375::AID-JCC5&gt;3.0.CO;2-2</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#BofillMAI00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JaqamanO02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jaqaman:Khuloud.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ortoleva:Peter_J=.html" />
<opus:title>New space warping method for the simulation of large-scale macromolecular conformational changes.</opus:title>
<opus:pages>484-491</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10040</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#JaqamanO02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/YaarCBM00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yaar:Fatih.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/=/=Ccedil=elik:Tarik.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berg:Bernd_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Meirovitch:Hagai.html" />
<opus:title>Multicanonical procedure for continuum peptide models.</opus:title>
<opus:pages>1251-1261</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20001115)21:14&lt;1251::AID-JCC4&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#YaarCBM00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/StegmannF96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stegmann:Ralf.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Frenking:Gernot.html" />
<opus:title>Silaacetylene: A possible target for experimental studies.</opus:title>
<opus:pages>781-789</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199605)17:7&lt;781::AID-JCC3&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#StegmannF96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/XieL02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xie:Li.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Haiyan.html" />
<opus:title>The treatment of solvation by a generalized Born model and a self-consistent charge-density functional theory-based tight-binding method.</opus:title>
<opus:pages>1404-1415</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10164</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#XieL02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SpassovB99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Spassov:Velin_Z=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bashford:Donald.html" />
<opus:title>Multiple-site ligand binding to flexible macromolecules: Separation of global and local conformational change and an iterative mobile clustering approach.</opus:title>
<opus:pages>1091-1111</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199908)20:11&lt;1091::AID-JCC1&gt;3.0.CO;2-3</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#SpassovB99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BuhlH98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/B=uuml=hl:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hamprecht:Fred_A=.html" />
<opus:title>Theoretical investigations of NMR chemical shifts and reactivities of oxovanadium(v) compounds.</opus:title>
<opus:pages>113-122</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980130)19:2&lt;113::AID-JCC3&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#BuhlH98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HardinEPLW02">
<opus:last_modified_date>2005-12-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hardin:Corey.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eastwood:Michael_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Prentiss:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luthey=Schulten:Zaida.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wolynes:Peter_G=.html" />
<opus:title>Folding funnels: The key to robust protein structure prediction.</opus:title>
<opus:pages>138-146</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1162</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#HardinEPLW02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SchaeferBLK01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schaefer:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bartels:Christian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leclerc:Fabrice.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karplus:Martin.html" />
<opus:title>Effective atom volumes for implicit solvent models: comparison between Voronoi volumes and minimum fluctuation volumes.</opus:title>
<opus:pages>1857-1879</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1137</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#SchaeferBLK01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NagaseKA98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nagase:Shigeru.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kobayashi:Kaoru.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Akasaka:Takeshi.html" />
<opus:title>Recent advances in the structural determination of endohedral metallofullerenes.</opus:title>
<opus:pages>232-239</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980130)19:2&lt;232::AID-JCC16&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#NagaseKA98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Chermette99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chermette:H=.html" />
<opus:title>Chemical reactivity indexes in density functional theory.</opus:title>
<opus:pages>129-154</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990115)20:1&lt;129::AID-JCC13&gt;3.0.CO;2-A</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Chermette99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AhlswedeJ99a">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Ahlswede:Bernd.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jug:Karl.html" />
<opus:title>Consistent modifications of SINDO1: II. Applications to first- and second-row elements.</opus:title>
<opus:pages>572-578</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990430)20:6&lt;572::AID-JCC2&gt;3.0.CO;2-1</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#AhlswedeJ99a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Lacaze-DufaureMR01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lacaze=Dufaure:Corinne.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mineva:Tzonka.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Russo:Nino.html" />
<opus:title>On the interaction of Mo and Mo2 with NH3, C2H4, and C3H6 .</opus:title>
<opus:pages>1557-1564</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1109</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Lacaze-DufaureMR01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VarnekWGF95">
<opus:last_modified_date>2006-10-25</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Varnek:Alexandre.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wipff:Georges.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Glebov:A=_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Feil:D=.html" />
<opus:title>An Application of the Miertus-Scrocco-Tomasi Solvation Model in Molecular Mechanics and Dynamics Simulations.</opus:title>
<opus:pages>1-19</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#VarnekWGF95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Martinez-NunezVM97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mart=iacute=nez=N=uacute==ntilde=ez:Emilio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/V=aacute=zquez:Saulo_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mosquera:Ricardo_A=.html" />
<opus:title>Conformational analysis of model compounds of vitamin D by theoretical calculations.</opus:title>
<opus:pages>1647-1655</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199710)18:13&lt;1647::AID-JCC6&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Martinez-NunezVM97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JinLW99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jin:A=_Y=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leung:F=_Y=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weaver:D=_F=.html" />
<opus:title>Three variations of genetic algorithm for searching biomolecular conformation space: Comparison of GAP 1.0, 2.0, and 3.0.</opus:title>
<opus:pages>1329-1342</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199910)20:13&lt;1329::AID-JCC1&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#JinLW99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HuisingaBRSC99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Huisinga:Wilhelm.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Best:Christoph.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roitzsch:Rainer.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sch=uuml=tte:Christof.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cordes:Frank.html" />
<opus:title>From simulation data to conformational ensembles: Structure and dynamics-based methods.</opus:title>
<opus:pages>1760-1774</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199912)20:16&lt;1760::AID-JCC8&gt;3.0.CO;2-2</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#HuisingaBRSC99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/YaarACBM02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yaar:Fatih.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Arkin:Handan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/=/=Ccedil=elik:Tarik.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berg:Bernd_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Meirovitch:Hagai.html" />
<opus:title>Efficiency of the multicanonical simulation method as applied to peptides of increasing size: The heptapeptide deltorphin.</opus:title>
<opus:pages>1127-1134</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10113</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#YaarACBM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ViethHKB98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vieth:Michal.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirst:Jonathan_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kolinski:Andrzej.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/III:Charles_L=_Brooks.html" />
<opus:title>Assessing energy functions for flexible docking.</opus:title>
<opus:pages>1612-1622</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981115)19:14&lt;1612::AID-JCC7&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#ViethHKB98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CramerKF01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cramer:Christopher_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kelterer:Anne=Marie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/French:Alfred_D=.html" />
<opus:title>When anomeric effects collide.</opus:title>
<opus:pages>1194-1204</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1077</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#CramerKF01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KrugerS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kr=uuml=ger:Thomas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sax:Alexander_F=.html" />
<opus:title>Distorted silicon hydrides - a comparative study with various density functionals.</opus:title>
<opus:pages>151-161</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010130)22:2&lt;151::AID-JCC2&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#KrugerS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KrugerS02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kr=uuml=ger:Thomas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sax:Alexander_F=.html" />
<opus:title>Oligovalent link atoms in embedding calculations.</opus:title>
<opus:pages>371-377</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10007</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#KrugerS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LangellaRICB02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Langella:Emma.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rega:Nadia.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Improta:Roberto.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Crescenzi:Orlando.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barone:Vincenzo.html" />
<opus:title>Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model.</opus:title>
<opus:pages>650-661</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10065</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#LangellaRICB02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GoodingWMFMHGR00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gooding:Stuart_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Winn:Peter_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maurer:Richard_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Ferenczy:Gy=ouml=rgy_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miller:John_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harris:Jayne_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Griffiths:D=_Vaughan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reynolds:Christopher_A=.html" />
<opus:title>Fully polarizable QM/MM calculations: An application to the nonbonded iodine-oxygen interaction in dimethyl-2-iodobenzoylphosphonate.</opus:title>
<opus:pages>478-482</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000430)21:6&lt;478::AID-JCC6&gt;3.0.CO;2-D</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#GoodingWMFMHGR00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PerczelFC96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Perczel:Andr=aacute=s.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Farkas:=Ouml=d=ouml=n.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Csizmadia:Imre_G=.html" />
<opus:title>Peptide models XVI. The identification of selected HCO - L - SER - NH2 conformers via a systematic grid search using ab initio potential energy surfaces.</opus:title>
<opus:pages>821-834</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199605)17:7&lt;821::AID-JCC6&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#PerczelFC96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/YinM98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yin:Daxu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jr=:Alexander_D=_MacKerell.html" />
<opus:title>Combined ab initio/empirical approach for optimization of Lennard-Jones parameters.</opus:title>
<opus:pages>334-348</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199802)19:3&lt;334::AID-JCC7&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#YinM98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WatanabeKYU01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Watanabe:Noboru.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kamata:Yohei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yamauchi:Kota.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Udagawa:Yasuo.html" />
<opus:title>Calculation of X-ray scattering intensities by means of the coupled cluster singles and doubles model.</opus:title>
<opus:pages>1315-1320</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1089</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#WatanabeKYU01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GreatbanksGLR00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Greatbanks:Stephen_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gready:Jill_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Limaye:Ajay_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rendell:Alistair_P=.html" />
<opus:title>Comparison of enzyme polarization of ligands and charge-transfer effects for dihydrofolate reductase using point-charge embedded ab initio quantum mechanical and linear-scaling semiempirical quantum mechanical methods.</opus:title>
<opus:pages>788-811</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000715)21:9&lt;788::AID-JCC7&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#GreatbanksGLR00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FerreAR02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Ferr=eacute=:Nicolas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Assfeld:Xavier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rivail:Jean=Louis.html" />
<opus:title>Specific force field parameters determination for the hybrid ab initio QM/MM LSCF method.</opus:title>
<opus:pages>610-624</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10058</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#FerreAR02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CalaminiciJKAS02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Calaminici:Patrizia.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jug:Karl.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/K=ouml=ster:Andreas_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Arbez=Gindre:C=eacute=cile.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Screttas:Constantinos_G=.html" />
<opus:title>Mechanism for large first hyperpolarizabilities of phosphonic acid stilbene derivatives.</opus:title>
<opus:pages>291-297</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10006</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#CalaminiciJKAS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PengASF96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Peng:Chunyang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Ayala:Philippe_Y=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schlegel:H=_Bernhard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Frisch:Michael_J=.html" />
<opus:title>Using redundant internal coordinates to optimize equilibrium geometries and transition states.</opus:title>
<opus:pages>49-56</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960115)17:1&lt;49::AID-JCC5&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#PengASF96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PrattC94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pratt:Lawrence_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chu:C=_C=.html" />
<opus:title>Computational Study of the Hydrolysis of Degradable Polysaccharide Biomaterials: Subtituent Effects on the Hydrolytic Mechanism.</opus:title>
<opus:pages>241-248</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#PrattC94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MomanyW00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Momany:Frank_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Willett:Julious_L=.html" />
<opus:title>Computational studies on carbohydrates: I. Density functional ab initio geometry optimization on maltose conformations.</opus:title>
<opus:pages>1204-1219</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200010)21:13&lt;1204::AID-JCC9&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#MomanyW00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/XiaoLLSS02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xiao:Jing=Fa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Ze=Sheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Jing=Yao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sheng:Li.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sun:Chia=Chung.html" />
<opus:title>DFT and Ab initio direct dynamics studies on the hydrogen abstraction reactions of chlorine atoms with CH4-nFn (n = 1-3).</opus:title>
<opus:pages>1456-1465</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10165</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#XiaoLLSS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/OberlinS98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oberlin:Daniel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:title>B-spline method for energy minimization in grid-based molecular mechanics calculations.</opus:title>
<opus:pages>71-85</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980115)19:1&lt;71::AID-JCC6&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#OberlinS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FerrerM99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Ferrer:Santiago_Melchor.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Molina:Jose_Molina.html" />
<opus:title>Theoretical calculations on C30H12 bowl-shaped hydrocarbons: NMR shielding constants, stability, and aromaticity.</opus:title>
<opus:pages>1412-1421</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199910)20:13&lt;1412::AID-JCC8&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#FerrerM99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/YooC95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yoo:Sung=Eun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cha:Ok_Ja.html" />
<opus:title>Prediction of LUMO Energy and Rate Constant by Comparative Molecular Field Analysis(CoMFA).</opus:title>
<opus:pages>449-453</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#YooC95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SkeelTH02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Skeel:Robert_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tezcan:Ismail.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hardy:David_J=.html" />
<opus:title>Multiple grid methods for classical molecular dynamics.</opus:title>
<opus:pages>673-684</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10072</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#SkeelTH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/YouB95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/You:Tony.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bashford:Donald.html" />
<opus:title>An Analytical Algorithm for the Rapid Determination of the Solvent Accessibility of Points in a Three-Dimensional Lattice around a Solute Molecule.</opus:title>
<opus:pages>743-757</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#YouB95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ThormannP01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thormann:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pons:Miquel.html" />
<opus:title>Massive docking of flexible ligands using environmental niches in parallelized genetic algorithms.</opus:title>
<opus:pages>1971-1982</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1146</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#ThormannP01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AllingerCL96">
<opus:last_modified_date>2005-07-06</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Kuo=Hsiang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lii:Jenn=Huei.html" />
<opus:title>An improved force field (MM4) for saturated hydrocarbons.</opus:title>
<opus:pages>642-668</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5-6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199604)17:5/6&lt;642::AID-JCC6&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#AllingerCL96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MacKerellB00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jr=:Alexander_D=_MacKerell.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Banavali:Nilesh_K=.html" />
<opus:title>All-atom empirical force field for nucleic acids: II. Application to molecular dynamics simulations of DNA and RNA in solution.</opus:title>
<opus:pages>105-120</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000130)21:2&lt;105::AID-JCC3&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#MacKerellB00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KleinschmidtTM02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kleinschmidt:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tatchen:J=ouml=rg.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Marian:Christel_M=.html" />
<opus:title>Spin-orbit coupling of DFT/MRCI wavefunctions: Method, test calculations, and application to thiophene.</opus:title>
<opus:pages>824-833</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10064</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#KleinschmidtTM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PointetMHR97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pointet:K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Milliet:A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hoyau:S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Renou=Gonnord:M=_F=.html" />
<opus:title>Proton affinities of polybenzenoid aromatic hydrocarbons and those with five-membered rings.</opus:title>
<opus:pages>629-637</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970415)18:5&lt;629::AID-JCC4&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#PointetMHR97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SusnowSRS94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Susnow:Roberta.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schutt:Clarence.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rabitz:Herschel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Subramaniam:Shankar.html" />
<opus:title>Conformational Study of Dipeptides: A Sensitivity Analysis Approach.</opus:title>
<opus:pages>947-962</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#SusnowSRS94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AllingerYC94">
<opus:last_modified_date>2005-07-06</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yan:Liqun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Kuo=Hsiang.html" />
<opus:title>Molecular Mechanics Calculations (MM2 and MM3) on Enamines and Aniline Derivatives.</opus:title>
<opus:pages>1321-1330</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#AllingerYC94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Zhou97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhou:Xuefeng.html" />
<opus:title>Reviews in Computational Chemistry, Volume 7.</opus:title>
<opus:pages>1327</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970730)18:10&lt;1327::AID-JCC7&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Zhou97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZhuY96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhu:Chuan=Bao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yan:Ji=Min.html" />
<opus:title>Investigation of interaction in C60 embedded complexes (X@C60) (X = alkali or halogen) at a series of radial positions by Buckingham potential function.</opus:title>
<opus:pages>1624-1632</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19961115)17:14&lt;1624::AID-JCC4&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#ZhuY96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RioLMS00">
<opus:last_modified_date>2005-11-02</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/R=iacute=o:E=_Del.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/L=oacute=pez:Ram=oacute=n.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rodr=iacute=guez:Mar=iacute=a_Isabel_Men=eacute=ndez.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sordo:Tom=aacute=s_Luis.html" />
<opus:title>A theoretical study of the reaction of HCO+ with C2H2.</opus:title>
<opus:pages>35-42</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000115)21:1&lt;35::AID-JCC4&gt;3.0.CO;2-6</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#RioLMS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FerroPR97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Ferro:Dino_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pumilia:Paolo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ragazzi:Massimo.html" />
<opus:title>An improved force field for conformational analysis of sulfated polysaccharides.</opus:title>
<opus:pages>351-367</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199702)18:3&lt;351::AID-JCC6&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#FerroPR97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KrautlerGH01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kr=auml=utler:Vincent.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gunsteren:Wilfred_F=_van.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/H=uuml=nenberger:Philippe_H=.html" />
<opus:title>A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations.</opus:title>
<opus:pages>501-508</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010415)22:5&lt;501::AID-JCC1021&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#KrautlerGH01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SteigerG01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Steiger:Don.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Glaser:Rainer.html" />
<opus:title>Lattice sum calculations for 1/rp interactions via multipole expansions and Euler summation.</opus:title>
<opus:pages>208-215</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010130)22:2&lt;208::AID-JCC8&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#SteigerG01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SizovaB95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sizova:O=_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baranovski:Victor_Ivanovich.html" />
<opus:title>INDO Parameters for the Elements of the I and II Transition Rows.</opus:title>
<opus:pages>586-594</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#SizovaB95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SalvadorPDS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Salvador:Pedro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Paizs:B=eacute=la.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Duran:Miquel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Suhai:S=aacute=ndor.html" />
<opus:title>On the effect of the BSSE on intermolecular potential energy surfaces. Comparison of a priori and a posteriori BSSE correction schemes.</opus:title>
<opus:pages>765-786</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1042</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#SalvadorPDS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DammG00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Damm:Wolfgang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gunsteren:Wilfred_F=_van.html" />
<opus:title>Reversible peptide folding: Dependence on molecular force field used.</opus:title>
<opus:pages>774-787</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000715)21:9&lt;774::AID-JCC6&gt;3.0.CO;2-5</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#DammG00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Constans02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Constans:Pere.html" />
<opus:title>Linear scaling approaches to quantum macromolecular similarity: Evaluating the similarity function.</opus:title>
<opus:pages>1305-1313</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10140</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Constans02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FraderaDM00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fradera:Xavier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Duran:Miquel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mestres:Jordi.html" />
<opus:title>Atomic transferability within the exchange-correlation density.</opus:title>
<opus:pages>1361-1374</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20001130)21:15&lt;1361::AID-JCC4&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#FraderaDM00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TurnerWRVSS95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Turner:James.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weiner:Paul.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Robson:Barry.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Venugopal:Ravi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/III:Harry_Schubele.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Singh:Ramen.html" />
<opus:title>Reduced Variable Molecular Dynamics.</opus:title>
<opus:pages>1271-1290</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#TurnerWRVSS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KandadaiR96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kandadai:N=_Swamy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reddy:M=_Rami.html" />
<opus:title>Solution structure of papain as studied by molecular mechanics and molecular dynamics techniques.</opus:title>
<opus:pages>1328-1338</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199608)17:11&lt;1328::AID-JCC5&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#KandadaiR96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NevinsA96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nevins:Neysa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:title>Molecular mechanics (MM4) vibrational frequency calculations for alkenes and conjugated hydrocarbons.</opus:title>
<opus:pages>730-746</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5-6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199604)17:5/6&lt;730::AID-JCC9&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#NevinsA96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BurkKKYT96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Burk:Peeter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Koppel:Ilmar_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Koppel:Ivar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yagupolskii:Lev_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Taft:Robert_W=.html" />
<opus:title>Superacidity of neutral Brfnsted acids in gas phase.</opus:title>
<opus:pages>30-41</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960115)17:1&lt;30::AID-JCC3&gt;3.0.CO;2-1</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#BurkKKYT96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/McMahonK97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McMahon:Alan_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/King:Paul_M=.html" />
<opus:title>Optimization of Carb&#243; molecular similarity index using gradient methods.</opus:title>
<opus:pages>151-158</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970130)18:2&lt;151::AID-JCC1&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#McMahonK97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WolinskiHHP97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wolinski:Krzysztof.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Haacke:Robert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hinton:James_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pulay:Peter.html" />
<opus:title>Methods for parallel computation of SCF NMR chemical shifts by GIAO method: Efficient integral calculation, multi-Fock algorithm, and pseudodiagonalization.</opus:title>
<opus:pages>816-825</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970430)18:6&lt;816::AID-JCC7&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#WolinskiHHP97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/StollMD02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stoll:Hermann.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Metz:Bernhard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dolg:Michael.html" />
<opus:title>Relativistic energy-consistent pseudopotentials - Recent developments.</opus:title>
<opus:pages>767-778</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10037</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#StollMD02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Alvarez-Collado94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alvarez=Collado:Jos=eacute=_Ram=oacute=n.html" />
<opus:title>Normal Coordinates-Finite Elements Calculation of 3D Vibrational Energy Levels: Hanon-Heiles and Eckart Potentials, H3+ Molecule.</opus:title>
<opus:pages>377-384</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Alvarez-Collado94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WinnFR99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Winn:Peter_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Ferenczy:Gy=ouml=rgy_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reynolds:Christopher_A=.html" />
<opus:title>Towards improved force fields: III. Polarization through modified atomic charges.</opus:title>
<opus:pages>704-712</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199905)20:7&lt;704::AID-JCC5&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#WinnFR99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HolstBW00a">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Holst:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baker:Nathan_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Feng.html" />
<opus:title>Adaptive multilevel finite element solution of the Poisson-Boltzmann equation II. Refinement at solvent-accessible surfaces in biomolecular systems.</opus:title>
<opus:pages>1343-1352</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20001130)21:15&lt;1343::AID-JCC2&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#HolstBW00a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ToyodaMKAHIKM99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Toyoda:Shinjiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miyagawa:Hiroh.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kitamura:Kunihiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Amisaki:Takashi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hashimoto:Eiri.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Ikeda:Hitoshi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kusumi:Akihiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miyakawa:Nobuaki.html" />
<opus:title>Development of MD Engine: High-speed accelerator with parallel processor design for molecular dynamics simulations.</opus:title>
<opus:pages>185-199</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990130)20:2&lt;185::AID-JCC1&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#ToyodaMKAHIKM99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VerdonkTRKKK94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Verdonk:Marcel_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tjerkstra:R=_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ridder:I=_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kanters:Jan_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kroon:Jan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kemp:W=_J=_M=_van_der.html" />
<opus:title>ToBaD: A MEthod for the Estimation of Torsion Barriers from Crystal Structure Data; Conformational Analysis of N, N-Dimethylaniline and Derivatives.</opus:title>
<opus:pages>1429-1436</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#VerdonkTRKKK94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KahnB02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kahn:Kalju.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bruice:Thomas_C=.html" />
<opus:title>Parameterization of OPLS-AA force field for the conformational analysis of macrocyclic polyketides.</opus:title>
<opus:pages>977-996</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10051</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#KahnB02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/David94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/David:Carl_W=.html" />
<opus:title>Hydrating Peptides Using a Sprouting Technique.</opus:title>
<opus:pages>23-28</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#David94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Stanton00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stanton:John_F=.html" />
<opus:title>Book review.</opus:title>
<opus:pages>505-507</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000430)21:6&lt;505::AID-JCC8&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#Stanton00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PristovekRJ02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pristovek:Primo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/R=uuml=terjans:Heinz.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jerala:Roman.html" />
<opus:title>Semiautomatic sequence-specific assignment of proteins based on the tertiary structure - The program st2nmr.</opus:title>
<opus:pages>335-340</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10011</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#PristovekRJ02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Mitin98a">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mitin:Alexander_V=.html" />
<opus:title>Use of symmetric rank-one Hessian update in molecular geometry optimization.</opus:title>
<opus:pages>1877-1886</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199812)19:16&lt;1877::AID-JCC8&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#Mitin98a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/OtsukaKEKC02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Otsuka:Takao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Koizumi:Seiji.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Endo:Kazunaka.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kawabe:Hiroyuki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chong:Delano_P=.html" />
<opus:title>Theoretical auger electron spectra of polymers by density functional theory calculations using model dimers.</opus:title>
<opus:pages>394-401</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10008</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#OtsukaKEKC02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KaminskiSBFCMZH02">
<opus:last_modified_date>2004-12-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kaminski:George_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stern:Harry_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berne:Bruce_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Friesner:Richard_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cao:Yixiang_X=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Murphy:Robert_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhou:Ruhong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Halgren:Thomas_A=.html" />
<opus:title>Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests.</opus:title>
<opus:pages>1515-1531</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10125</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#KaminskiSBFCMZH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ViterboB01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Viterbo:V=_D=_de.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Belchior:Jadson_Cl=aacute=udio.html" />
<opus:title>Artificial neural networks applied for studying metallic complexes.</opus:title>
<opus:pages>1691-1701</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1124</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#ViterboB01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FrenkingA01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Frenking:Gernot.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:title>Editors&apos; preface.</opus:title>
<opus:pages>7-8</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1115</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#FrenkingA01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KrackKJ97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Krack:Matthias.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/K=ouml=ster:Andreas_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jug:Karl.html" />
<opus:title>Approximate molecular electrostatic potentials from semiempirical wavefunctions.</opus:title>
<opus:pages>301-312</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/0.1002/(SICI)1096-987X(199702)18:3&lt;301::AID-JCC1&gt;3.0.CO;2-Y</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#KrackKJ97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Garcia-CruzCV00">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vivier=Bunge:Annik.html" />
<opus:title>DFT and MP2 molecular orbital determination of OH-toluene-O2 isomeric structures in the atmospheric oxidation of toluene.</opus:title>
<opus:pages>716-730</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000715)21:9&lt;716::AID-JCC2&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#Garcia-CruzCV00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BachsLO94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bachs:Margarida.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luque:F=_Javier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Orozco:Modesto.html" />
<opus:title>Optimization of Solute Cavities and van der Waals Parameters in Ab Initio MST-SCRF Calculations of Neutral Molecules.</opus:title>
<opus:pages>446-454</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#BachsLO94</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GabbLP95">
<opus:last_modified_date>2004-01-12</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lavery:R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pr=eacute=vost:C=.html" />
<opus:title>Efficient Conformational Space Samling for Nucleosides Using Internal Coordinat Monte Carlo Simulations and a Modified Furanose Description.</opus:title>
<opus:pages>6667-680</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#GabbLP95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KarLV94">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lenz:Terry_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vaughan:John_D=.html" />
<opus:title>Thermodynamic Molecular Mechanics Force Field: Modified QCFF Program.</opus:title>
<opus:pages>1254-1265</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#KarLV94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SilvaAP97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pedroza:Antonio_Carlos.html" />
<opus:title>Estimating correlation energy of diatomic molecules and atoms with neural networks.</opus:title>
<opus:pages>1407-1414</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199708)18:11&lt;1407::AID-JCC7&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#SilvaAP97</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SchmiedekampTBRCPM94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Topol:Igor_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Burt:Stanley_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Razafinjanahary:Holy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chemette:Henry.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pfalzgraff:Timothy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Michejda:Christopher_J=.html" />
<opus:title>Triazene Proton Affinities: A Comparison between Density Functional, Hartree-Fock, and Post-Hartree-Fock Methods.</opus:title>
<opus:pages>875-892</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#SchmiedekampTBRCPM94</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CurutchetOL01">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luque:F=_Javier.html" />
<opus:title>Solvation in octanol: parametrization of the continuum MST model.</opus:title>
<opus:pages>1180-1193</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1076</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#CurutchetOL01</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HelalYA02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yousef:Yaser_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Afaneh:Akef_T=.html" />
<opus:title>Ab Initio calculations of the stabilization energies of the conformational and the structural isomers of C3H7X where X = F, Cl, and Br.</opus:title>
<opus:pages>966-976</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10047</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#HelalYA02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Karna99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karna:Shashi_P=.html" />
<opus:title>Ab initio coupled Hartree-Fock study of the Bloembergen effect on paramagnetic systems: SiH3 radical.</opus:title>
<opus:pages>1274-1280</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199909)20:12&lt;1274::AID-JCC7&gt;3.0.CO;2-7</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Karna99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SeveranceEJ95">
<opus:last_modified_date>2004-09-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Severance:Daniel_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Essex:Jonathan_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jorgensen:William_L=.html" />
<opus:title>Generalized Alteration of Structure and Parameters: A New Method for Free- Energy Perturbations in Systems Containing Flexible Degrees of Freedom.</opus:title>
<opus:pages>311-327</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#SeveranceEJ95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DanielewskiF96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Danielewski:M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Filipek:R=.html" />
<opus:title>Generalized solution of interdiffusion problem: Optimal approach for multicomponent bounded systems.</opus:title>
<opus:pages>1497-1507</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199610)17:13&lt;1497::AID-JCC1&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#DanielewskiF96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RicoLRE01">
<opus:last_modified_date>2004-09-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rico:Jaime_Fern=aacute=ndez.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/L=oacute=pez:R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ram=iacute=rez:G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Ema:I=.html" />
<opus:title>Correspondence between GTO and STO molecular basis sets.</opus:title>
<opus:pages>1655-1665</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1121</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#RicoLRE01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RossiBE98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rossi:Elda.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bendazzoli:Gian_Luigi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Evangelisti:Stefano.html" />
<opus:title>Full configuration interaction algorithm on a massively parallel architecture: Direct-list implementation.</opus:title>
<opus:pages>658-672</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980430)19:6&lt;658::AID-JCC7&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#RossiBE98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DardenneWNB01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dardenne:Laurent_Emmanuel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Werneck:Araken_dos_Santos.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Neto:Mar=ccedil=_de_Oliveira.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bisch:Paulo_Mascarello.html" />
<opus:title>Reassociation of fragments using multicentered multipolar expansions: peptide junction treatments to investigate electrostatic properties of proteins.</opus:title>
<opus:pages>689-701</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1037</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#DardenneWNB01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Drablos00">
<opus:last_modified_date>2005-02-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Drabl=oslash=s:Finn.html" />
<opus:title>Ab initio simulation of chemical shift effects from metal ion binding in Bacitracin A.</opus:title>
<opus:pages>1-7</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000115)21:1&lt;1::AID-JCC1&gt;3.0.CO;2-D</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#Drablos00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ShimadaKT94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shimada:Jiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kaneko:Hiroki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Takada:Toshikazu.html" />
<opus:title>Performance of Fast Multipole Methods for Calculating Electrostatic Interactions in Biomacromolecular Simulations.</opus:title>
<opus:pages>29-43</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#ShimadaKT94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TiraboschiRG99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tiraboschi:Gilles.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roques:Bernard=Pierre.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gresh:Nohad.html" />
<opus:title>Joint quantum chemical and polarizable molecular mechanics investigation of formate complexes with penta- and hexahydrated Zn2+: Comparison between energetics of model bidentate, monodentate, and through-water Zn2+ binding modes and evaluation of nonadditivity effects.</opus:title>
<opus:pages>1379-1390</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199910)20:13&lt;1379::AID-JCC5&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#TiraboschiRG99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BiemoltJ94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Biemolt:W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jansen:A=_P=_J=.html" />
<opus:title>Potential Energy Surfaces for Rh-CO from DFT Calculations.</opus:title>
<opus:pages>1053-1063</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#BiemoltJ94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RidardL99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ridard:Jacqueline.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/L=eacute=vy:Bernard.html" />
<opus:title>Effective atomic charges in alanine dipeptide.</opus:title>
<opus:pages>473-482</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990415)20:5&lt;473::AID-JCC1&gt;3.0.CO;2-8</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#RidardL99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SmartS95">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smart:Bruce_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schiesser:Carl_H=.html" />
<opus:title>&lt;sub&gt;3&lt;/sub&gt;&lt;sub&gt;3&lt;/sub&gt;: Discrepanticies between All-Electron and Pseudopotential Calculations.</opus:title>
<opus:pages>1055-1066</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#SmartS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KovacsCK98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kov=aacute=cs:Attila.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Csonka:G=aacute=bor_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Keser:Gy=ouml=rgy_M=.html" />
<opus:title>Comparison of ab initio and density functional methods for vibrational analysis of TeCl4.</opus:title>
<opus:pages>308-318</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199802)19:3&lt;308::AID-JCC5&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#KovacsCK98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FernandezR94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fern=aacute=ndez:Berta.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/R=iacute=os:Miguel_A=.html" />
<opus:title>Parametrization of a Force Field for Studying Some Beta Lactams.</opus:title>
<opus:pages>455-465</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#FernandezR94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/OkunborS94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Okunbor:Daniel_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Skeel:Robert_D=.html" />
<opus:title>Canonical Numerical Methods for Molecular Dynamics Simulations.</opus:title>
<opus:pages>72-79</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#OkunborS94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LukeLB99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luke:Vladim=iacute=r.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Laurinc:Viliam.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Biskupi:Stanislav.html" />
<opus:title>Perturbative formulation of dispersion contributions to interaction energy of van der Waals systems of closed-shell-open-shell type.</opus:title>
<opus:pages>857-866</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199906)20:8&lt;857::AID-JCC10&gt;3.0.CO;2-#</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#LukeLB99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HungerH99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Huttner:G=.html" />
<opus:title>Optimization and analysis of force field parameters by combination of genetic algorithms and neural networks.</opus:title>
<opus:pages>455-471</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199903)20:4&lt;455::AID-JCC6&gt;3.0.CO;2-1</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#HungerH99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChristiansonLAKG00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Christianson:Laurie_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lucero:Melissa_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Appella:Daniel_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Klein:Daniel_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gellman:Samuel_H=.html" />
<opus:title>Improved treatment of cyclic -amino acids and successful prediction of -peptide secondary structure using a modified force field: AMBER*C.</opus:title>
<opus:pages>763-773</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000715)21:9&lt;763::AID-JCC5&gt;3.0.CO;2-C</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#ChristiansonLAKG00</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Takahashi:H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hori:T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hashimoto:H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nitta:T=.html" />
<opus:title>A hybrid QM/MM method employing real space grids for QM water in the TIP4P water solvents.</opus:title>
<opus:pages>1252-1261</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1082</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#TakahashiHHN01</rdfs:seeAlso>
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<opus:last_modified_date>2005-01-06</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Caflisch:Amedeo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fischer_0004:Stefan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karplus:Martin.html" />
<opus:title>Docking by Monte Carlo minimization with a solvation correction: Application to an FKBP - substrate complex.</opus:title>
<opus:pages>723-743</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970430)18:6&lt;723::AID-JCC1&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#CaflischFK97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HarveyTC98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harvey:Stephen_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tan:Robert_K==Z=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/III:Thomas_E=_Cheatham.html" />
<opus:title>The flying ice cube: Velocity rescaling in molecular dynamics leads to violation of energy equipartition.</opus:title>
<opus:pages>726-740</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199805)19:7&lt;726::AID-JCC4&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#HarveyTC98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GibratGG94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gibrat:Jean=Fran=ccedil=ois.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Garnier:Jean.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Go:Nobuhiro.html" />
<opus:title>Normal Mode Analysis of Oligomeric Proteins: Reduction of the Memory Requirement by Consideration of Rigid Geomertry and Molecular Symmetry.</opus:title>
<opus:pages>820-837</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#GibratGG94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SridharanNS95">
<opus:last_modified_date>2004-07-27</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nicholls:Antony.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sharp:Kim_A=.html" />
<opus:title>A Rapid Method for Calculating Derivatives of Solvent Accessible Surface Areas of Molecules.</opus:title>
<opus:pages>1038-1044</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#SridharanNS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZhexinYY95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhexin:Xiang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yunyu:Shi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yinwu:Xu.html" />
<opus:title>Solving the Finite-Difference, Nonlinear, Poisson-Boltzmann Equation under a Linear Approach.</opus:title>
<opus:pages>200-206</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#ZhexinYY95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MurckoRG97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Murcko:Mark_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rao:B=_Govinda.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gomperts:Roberto.html" />
<opus:title>Conformational analysis of HIV-1 protease inhibitors: 2. Thioproline P1 Residue in the potent inhibitor KNI-272.</opus:title>
<opus:pages>1151-1166</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970715)18:9&lt;1151::AID-JCC4&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#MurckoRG97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Llamas-SaizFMJEE95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Llamas=Saiz:Antonio_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Foces=Foces:Concepci=oacute=n.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/M=oacute=:Otilia.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Ja=ntilde=z:Manuel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Elguero:Eric.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Elguero:Jos=eacute=.html" />
<opus:title>Geometry of Pyrazole: A Test for Ab Initio Calculations.</opus:title>
<opus:pages>163-272</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#Llamas-SaizFMJEE95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Aqvist96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/=/=Aring=qvist:Johan.html" />
<opus:title>Calculation of absolute binding free energies for charged ligands and effects of long-range electrostatic interactions.</opus:title>
<opus:pages>1587-1597</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19961115)17:14&lt;1587::AID-JCC1&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#Aqvist96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BringmannMRF01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bringmann:Gerhard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/M=uuml=hlbacher:J=ouml=rg.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Repges:Charlotte.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fleischhauer:J=ouml=rg.html" />
<opus:title>MD-based CD calculations for the assignment of the absolute axial configuration of the naphthylisoquinoline alkaloid dioncophylline A.</opus:title>
<opus:pages>1273-1278</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1084</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#BringmannMRF01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TangZX01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tang:Pei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zubryzcki:Igor.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xu:Yan.html" />
<opus:title>Ab Initio Calculation of structures and properties of halogenated general anesthetics: halothane and sevoflurane.</opus:title>
<opus:pages>436-444</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200103)22:4&lt;436::AID-JCC1014&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#TangZX01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BraviGZP97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bravi:Gianpaolo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gancia:Emanuela.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zaliani:Andrea.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pegna:Monica.html" />
<opus:title>SONHICA (Simple optimized non-HIerarchical Cluster Analysis): A new tool for analysis of molecular conformations.</opus:title>
<opus:pages>1295-1311</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970730)18:10&lt;1295::AID-JCC4&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#BraviGZP97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PereraDP02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Perera:Lalith.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Darden:Thomas_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pedersen:Lee_G=.html" />
<opus:title>Predicted solution structure of zymogen human coagulation FVII.</opus:title>
<opus:pages>35-47</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1155</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#PereraDP02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AlcaroGIMMPV00">
<opus:last_modified_date>2006-10-05</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alcaro:Stefano.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gasparrini:F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Incani:O=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mecucci:S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Misiti:D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pierini:M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Villani:C=.html" />
<opus:title>A quasi-flexible automatic docking processing for studying stereoselective recognition mechanisms. Part I. Protocol validation.</opus:title>
<opus:pages>515-530</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200005)21:7&lt;515::AID-JCC2&gt;3.0.CO;2-5</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#AlcaroGIMMPV00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChandraUS00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chandra:Asit_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Uchimaru:Tadafumi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sugie:Masaaki.html" />
<opus:title>Kinetics of the hydrogen abstraction reactions of 1, 1- and 1, 2-difluoroethane with hydroxyl radical: an ab initio study.</opus:title>
<opus:pages>1305-1318</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20001115)21:14&lt;1305::AID-JCC9&gt;3.0.CO;2-#</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#ChandraUS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/IonovaC96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Ionova:Irina_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carter:Emily_A=.html" />
<opus:title>Error vector choice in direct inversion in the iterative subspace method.</opus:title>
<opus:pages>1836-1847</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199612)17:16&lt;1836::AID-JCC4&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#IonovaC96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/StAmantCKH95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/St==Amant:Alain.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cornell:Wendy_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollman:Peter_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Halgren:Thomas_A=.html" />
<opus:title>Calculation of Molecular Geometries, Relative Conformational Energies, Dipole Moments, and Molecular Electrostatic Potential Fitted Charges of Small Organic Molecules of Biochemical Interest by Density Function Theory.</opus:title>
<opus:pages>1483-1506</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#StAmantCKH95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Hermann97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hermann:Robert_B=.html" />
<opus:title>Modeling hydrophobic solvation of nonspherical systems: Comparison of use of molecular surface area with accessible surface area.</opus:title>
<opus:pages>115-125</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970115)18:1&lt;115::AID-JCC11&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Hermann97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NiesseM97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Niesse:John_Arthur.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mayne:Howard_R=.html" />
<opus:title>Global optimization of atomic and molecular clusters using the space-fixed modified genetic algorithm method.</opus:title>
<opus:pages>1233-1244</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970715)18:9&lt;1233::AID-JCC11&gt;3.0.CO;2-6</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#NiesseM97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KlamtEHBB02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eckert:Frank.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hornig:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Beck:Michael_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/B=uuml=rger:Thorsten.html" />
<opus:title>Prediction of aqueous solubility of drugs and pesticides with COSMO-RS.</opus:title>
<opus:pages>275-281</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1168</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#KlamtEHBB02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZhengMCXF97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zheng:Shijun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Meng:Lingpeng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cai:Xinhua.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xu:Zhenfeng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fu:Xiaoyuan.html" />
<opus:title>Topological studies on IRC paths of X+H2XH+H reactions.</opus:title>
<opus:pages>1167-1174</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970715)18:9&lt;1167::AID-JCC5&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#ZhengMCXF97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DufnerKBS97">
<opus:last_modified_date>2004-02-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dufner:H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kast:Stefan_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brickmann:J=uuml=rgen.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schlenkrich:Michael.html" />
<opus:title>Ewald summation versus direct summation of shifted-force potentials for the calculation of electrostatic interactions in solids: A quantitative study.</opus:title>
<opus:pages>660-676</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970415)18:5&lt;660::AID-JCC7&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#DufnerKBS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DerreumauxZSB94">
<opus:last_modified_date>2003-10-06</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Derreumaux:Philippe.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Guhua.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schlick:Tamar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brooks:Bernard_R=.html" />
<opus:title>A Truncated Newton Minimizer Adapted for CHARMM and Biomolecular Applications.</opus:title>
<opus:pages>532-552</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#DerreumauxZSB94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KieningerS96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kieninger:Martina.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Suhai:S=aacute=ndor.html" />
<opus:title>Conformational and energetic properties of the ammonia dimer - comparison of post-Hartree - Fock and density functional methods.</opus:title>
<opus:pages>1508-1519</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199610)17:13&lt;1508::AID-JCC2&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#KieningerS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RassokhinLA01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rassokhin:Dmitrii_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lobanov:Victor_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Agrafiotis:Dimitris_K=.html" />
<opus:title>Nonlinear mapping of massive data sets by fuzzy clustering and neural networks.</opus:title>
<opus:pages>373-386</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200103)22:4&lt;373::AID-JCC1009&gt;3.0.CO;2-8</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#RassokhinLA01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Hermida-RamonEK98">
<opus:last_modified_date>2004-11-16</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hermida=Ram=oacute=n:Jose_Manuel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Engkvist:Ola.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karlstr=ouml=m:Gunnar.html" />
<opus:title>Theoretical study of intermolecular potential energy surface for HCl dimer: Example of nonspherical atom-atom exchange repulsion interaction.</opus:title>
<opus:pages>1816-1825</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199812)19:16&lt;1816::AID-JCC3&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#Hermida-RamonEK98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/YangK00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yang:Jinn=Moon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kao:Cheng=Yan.html" />
<opus:title>Flexible ligand docking using a robust evolutionary algorithm.</opus:title>
<opus:pages>988</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200008)21:11&lt;988::AID-JCC8&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#YangK00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BuchachenkoBS96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Buchachenko:A=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baisogolov:A=_Yu=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stepanov:N=_F=.html" />
<opus:title>Decoupling approximations for quantum vibrational predissociation dynamics: The tests on the low-level golden rule approaches for some rare gas - Cl2, ICl complexes.</opus:title>
<opus:pages>919-930</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199606)17:8&lt;919::AID-JCC1&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#BuchachenkoBS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SmeyersMS98">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smeyers:N=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mel=eacute=ndez:Fco=_Javier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smeyers:Yves_G=.html" />
<opus:title>Exploring potential energy hypersurfaces for triple symmetric inversion in 3-azabicyclo[3.3.1]nonan-9-one and its N-methyl derivative.</opus:title>
<opus:pages>1567-1574</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981115)19:14&lt;1567::AID-JCC2&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#SmeyersMS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TomacG98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tomac:Sebastian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gr=auml=slund:Astrid.html" />
<opus:title>Multi-multigrid solution of modified Poisson-Boltzmann equation for arbitrarily shaped molecules.</opus:title>
<opus:pages>893-901</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199806)19:8&lt;893::AID-JCC8&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#TomacG98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HayryanHHS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hayryan:Shura.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hu:Chin=Kun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hu:Shun=Yun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shang:Rung=Ji.html" />
<opus:title>Multicanonical parallel simulations of proteins with continuous potentials.</opus:title>
<opus:pages>1287-1296</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1086</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#HayryanHHS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MinevaRS98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mineva:Tzonka.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Russo:Nino.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sicilia:Emilia.html" />
<opus:title>Solvation effects on reaction profiles by the polarizable continuum model coupled with the Gaussian density functional method.</opus:title>
<opus:pages>290-299</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199802)19:3&lt;290::AID-JCC3&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#MinevaRS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SoiratWOW97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Soirat:Arnaud_J=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wong:Chung_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Osman:Roman.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weinstein:Harel.html" />
<opus:title>Brownian dynamics simulations of the reactions of hydrated electrons with components of DNAs and a DNA double-helix.</opus:title>
<opus:pages>888-901</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199705)18:7&lt;888::AID-JCC3&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#SoiratWOW97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WuJVLAGM96">
<opus:last_modified_date>2004-09-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wu:Guang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jacobs:Sven.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Verbruggen:M=_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lenstra:Albert_T=_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alsenoy:Christian_Van.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Geise:Herman_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Meervelt:L=_van.html" />
<opus:title>Phenylene vinylene oligomers studied by theoretical methods: Joint analysis of computational and x-ray results of the configurational isomers of 1, 4-bis[2-(3, 4, 5-trimethoxyphenyl)ethenyl]benzene.</opus:title>
<opus:pages>1245-1257</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199608)17:10&lt;1245::AID-JCC5&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#WuJVLAGM96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GaedtH98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gaedt:Katrin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/H=ouml=ltje:Hans=Dieter.html" />
<opus:title>Consistent valence force-field parameterization of bond lengths and angles with quantum chemical ab initio methods applied to some heterocyclic dopamine D3-receptor agonists.</opus:title>
<opus:pages>935-946</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199806)19:8&lt;935::AID-JCC12&gt;3.0.CO;2-6</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#GaedtH98</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Price:Daniel_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/III:Charles_L=_Brooks.html" />
<opus:title>Modern protein force fields behave comparably in molecular dynamics simulations.</opus:title>
<opus:pages>1045-1057</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10083</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#PriceB02</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HowardCK95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Howard:Allison_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cieplak:Piotr.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollman:Peter_A=.html" />
<opus:title>A Molecular Mechanical Model That Reproduces the Relative Energies for Chair and Twist-Boat Conformations of 1, 3-Dioxanes.</opus:title>
<opus:pages>243-262</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#HowardCK95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SouzaGCG00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Souza:Hermes_F=_de.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Guadagnini:Paulo_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Custodio:Rog=eacute=rio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Goddard:John_D=.html" />
<opus:title>The correlation of proton affinities with atomic charges and electronegativities for the group 14 to 17 hydrides.</opus:title>
<opus:pages>1119-1131</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200010)21:13&lt;1119::AID-JCC1&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#SouzaGCG00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DzungSASSH97">
<opus:last_modified_date>2004-02-17</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dzung:T=_Nguyen.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheiner:Andrew_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Andzelm:Jan_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sirois:Suzanne_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Salahub:Dennis_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hagler:Arnold_T=.html" />
<opus:title>A density functional study of the glycine molecule: Comparison with post-Hartree-Fock calculations and experiment.</opus:title>
<opus:pages>1609-1631</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199710)18:13&lt;1609::AID-JCC4&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#DzungSASSH97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/OkumotoY01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Okumoto:Satoshi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yamabe:Shinichi.html" />
<opus:title>A computational study of base-catalyzed reactions between isocyanates and epoxides affording 2-oxazolidones and isocyanurates.</opus:title>
<opus:pages>316-326</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200102)22:3&lt;316::AID-JCC1004&gt;3.0.CO;2-5</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#OkumotoY01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HudakyJCP01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hud=aacute=ky:P=eacute=ter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/J=aacute=kli:Imre.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cs=aacute=sz=aacute=r:Attila_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Perczel:Andr=aacute=s.html" />
<opus:title>Peptide models XXXI. Conformational properties of hydrophobic residues shaping the core of proteins. An ab initio study of N-formyl-L-valinamide and N-formyl-L-phenylalaninamide.</opus:title>
<opus:pages>732-751</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1040</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#HudakyJCP01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/IzzoK00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Izzo:Roberto.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Klessinger:Martin.html" />
<opus:title>Optimization of conical intersections using the semiempirical MNDOC-CI method with analytic gradients.</opus:title>
<opus:pages>52-62</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000115)21:1&lt;52::AID-JCC6&gt;3.0.CO;2-7</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#IzzoK00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PayneRRD98">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Payne:R=_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roberts:R=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rowe:Raymond_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Docherty:R=.html" />
<opus:title>Generation of crystal structures of acetic acid and its halogenated analogs.</opus:title>
<opus:pages>1-20</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980115)19:1&lt;1::AID-JCC1&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#PayneRRD98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Arnaud94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Arnaud:R=.html" />
<opus:title>&lt;sub&gt;3&lt;/sub&gt;&lt;sub&gt;2&lt;/sub&gt;Radicals: The Influence of Anomeric Effects on Their Strucutre and Their Stability.</opus:title>
<opus:pages>1341-1356</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Arnaud94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PappuSW96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pappu:Rohit_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schneller:William_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weaver:David_L=.html" />
<opus:title>Electrostatic multipole representation of a polypeptide chain: An algorithm for simulation of polypeptide properties.</opus:title>
<opus:pages>1033-1055</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199606)17:8&lt;1033::AID-JCC12&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#PappuSW96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ParrettiKRR97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Parretti:Martin_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kroemer:Romano_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rothman:Jeffrey_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Richards:W=_Graham.html" />
<opus:title>Alignment of molecules by the Monte Carlo optimization of molecular similarity indices.</opus:title>
<opus:pages>1344-1353</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199708)18:11&lt;1344::AID-JCC2&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#ParrettiKRR97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChenBIT94">
<opus:last_modified_date>2003-05-12</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Xiannong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bartolotti:Libero.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Ishaq:Khalid.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tropsha:Alexander.html" />
<opus:title>Molecular Simulation of Alkyl Boronic Acids: Molecular Mechanics and Solvation Free Energy Calculations.</opus:title>
<opus:pages>333-345</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#ChenBIT94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MorrisGHHHBO98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Morris:Garrett_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Goodsell:David_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Halliday:Robert_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Huey:Ruth.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hart:William_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Belew:Richard_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Olson:Arthur_J=.html" />
<opus:title>Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function.</opus:title>
<opus:pages>1639-1662</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981115)19:14&lt;1639::AID-JCC10&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#MorrisGHHHBO98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SmellieTT95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smellie:Andrew.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Teig:Steven_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Towbin:Peter.html" />
<opus:title>Poling: Promoting Conformational Variation.</opus:title>
<opus:pages>171-187</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#SmellieTT95</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JorgeCS97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Silva:A=_B=_F=_Da.html" />
<opus:title>A universal Gaussian basis set for atoms cerium through lawrencium generated with the generator coordinate Hartree-Fock method.</opus:title>
<opus:pages>1565-1569</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199710)18:13&lt;1565::AID-JCC1&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#JorgeCS97</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/StantonBK97">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bleil:Richard_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kais:Sabre.html" />
<opus:title>A new approach to global minimization.</opus:title>
<opus:pages>594-599</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199703)18:4&lt;594::AID-JCC12&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#StantonBK97</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JorgeLN98">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Librelon:P=_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Neto:A=_Canal.html" />
<opus:title>Adapted Gaussian basis sets for atoms Cs to Lr based on the generator coordinate Hartree-Fock method.</opus:title>
<opus:pages>858-865</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199806)19:8&lt;858::AID-JCC5&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#JorgeLN98</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/StantonHM95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hartsough:David_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jr=:Kenneth_M=_Merz.html" />
<opus:title>An Examination of a Density Functional/Molecular Mechanical Coupled Potential.</opus:title>
<opus:pages>113-128</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#StantonHM95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LeeMLKKH00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maeng:Jae_Yeol.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Eok=Kyun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kim:Bongsoo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kim:Sehun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Han:Kyu=Kwang.html" />
<opus:title>Melting behaviors of icosahedral metal clusters studied by Monte Carlo simulations.</opus:title>
<opus:pages>380-387</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000415)21:5&lt;380::AID-JCC4&gt;3.0.CO;2-C</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#LeeMLKKH00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GajewskiGK98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gajewski:Joseph_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gilbert:Kevin_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kreek:Thomas_W=.html" />
<opus:title>General molecular mechanics approach to transition metal complexes.</opus:title>
<opus:pages>1167-1178</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980730)19:10&lt;1167::AID-JCC5&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#GajewskiGK98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FurukiUSICH94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Furuki:Takao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Umeda:Akihiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sakurai:Minoru.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Inoue:Yoshio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chujo:Riiciro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harata:Kazuaki.html" />
<opus:title>General Parameterization of a Reaction Field Theory Combined with the Boundary Element Method.</opus:title>
<opus:pages>90-104</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#FurukiUSICH94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PaciosG01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pacios:Luis_Fern=aacute=ndez.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/G=oacute=mez:Pedro_C=.html" />
<opus:title>Intramolecular interactions and intramolecular hydrogen bonding in conformers of gaseous glycine.</opus:title>
<opus:pages>702-716</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1038</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#PaciosG01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PaciosG98">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/G=oacute=mez:Pedro_C=.html" />
<opus:title>Radial behavior of gradient expansion approximation to atomic Fukui function and shell structure of atoms.</opus:title>
<opus:pages>488-503</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980415)19:5&lt;488::AID-JCC2&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#PaciosG98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RousselL95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roussel:Marc_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lim:Carmay.html" />
<opus:title>Discrete, Dynamic Polymer Modelin: A Pseudo-Diatomic Model of Lignin.</opus:title>
<opus:pages>1181-1191</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#RousselL95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HertwigKY98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hertwig:Roland_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Koch:Wolfram.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yates:Brian_F=.html" />
<opus:title>Economical treatments of relativistic effects and electron correlation in WH6.</opus:title>
<opus:pages>1604-1611</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981115)19:14&lt;1604::AID-JCC6&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#HertwigKY98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TitmussCRBG02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Titmuss:Stephen_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cummins:Peter_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rendell:Alistair_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bliznyuk:Andrey_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gready:Jill_E=.html" />
<opus:title>Comparison of linear-scaling semiempirical methods and combined quantum mechanical/molecular mechanical methods for enzymic reactions. II. An energy decomposition analysis.</opus:title>
<opus:pages>1314-1322</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10122</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#TitmussCRBG02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PisaniC94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pisani:Lorenzo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Clementi:Enrico.html" />
<opus:title>Relativistic Dirac-Fock Calculations for Closed-Shell Molecules.</opus:title>
<opus:pages>466-474</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#PisaniC94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HassinenP01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hassinen:Tommi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Per=auml=kyl=auml=:Mikael.html" />
<opus:title>New energy terms for reduced protein models implemented in an off-lattice force field.</opus:title>
<opus:pages>1229-1242</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1080</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#HassinenP01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ArnimA98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Arnim:Malte_Von.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Ahlrichs:Reinhart.html" />
<opus:title>Performance of parallel TURBOMOLE for density functional calculations.</opus:title>
<opus:pages>1746-1757</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981130)19:15&lt;1746::AID-JCC7&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#ArnimA98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/YoonSJ95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yoon:Jeong_Hyeok.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shin:Jae_Kwang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jhon:Mu_Shik.html" />
<opus:title>Determination of C- Terminal Structure of Human C-Ha-Ras Oncogenic Protein.</opus:title>
<opus:pages>478-485</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#YoonSJ95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MatyskaK94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Matyska:Ludek.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Koca:Jaroslav.html" />
<opus:title>D-CICADA : A Software for Confromational PES Elucidation on Network of Workstations.</opus:title>
<opus:pages>937-946</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#MatyskaK94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KlopperSTC01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Klopper:Wim.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Samson:Claire_C=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tarczay:Gy=ouml=rgy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cs=aacute=sz=aacute=r:Attila_G=.html" />
<opus:title>Equilibrium inversion barrier of NH3 from extrapolated coupled-cluster pair energies.</opus:title>
<opus:pages>1306-1314</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1088</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#KlopperSTC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WhiteheadEE01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Whitehead:Lewis.html" />
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<opus:title>Molecular dynamics simulation of the hydrocarbon region of a biomembrane using a reduced representation model.</opus:title>
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<opus:volume>22</opus:volume>
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<opus:number>14</opus:number>
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<opus:title>Viability of molecular modeling with pentium-based PCs.</opus:title>
<opus:pages>1385-1386</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CundariY98">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yoshikawa:Akihiko.html" />
<opus:title>Computational study of methane activation by mercury(II) complexes.</opus:title>
<opus:pages>902-911</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199806)19:8&lt;902::AID-JCC9&gt;3.0.CO;2-T</opus:ee>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TrossetS99a">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:title>Prodock: Software package for protein modeling and docking.</opus:title>
<opus:pages>412-427</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199903)20:4&lt;412::AID-JCC3&gt;3.0.CO;2-N</opus:ee>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Papadopoulos:M=_G=.html" />
<opus:title>Nonlinear optical properties of the rhombic B4-cluster.</opus:title>
<opus:pages>679-687</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WhitfieldS02">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Straub:John_E=.html" />
<opus:title>Gravitational smoothing as a global optimization strategy.</opus:title>
<opus:pages>1100-1103</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10106</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#WhitfieldS02</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LumanKA01">
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<opus:title>Predicting 15N amide chemical shifts in proteins. I. An additive model for the backbone contribution.</opus:title>
<opus:pages>366-372</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200102)22:3&lt;366::AID-JCC1008&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#LumanKA01</rdfs:seeAlso>
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<opus:title>A new soft-core potential function for molecular dynamics applied to the prediction of protein loop conformations.</opus:title>
<opus:pages>388-397</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000415)21:5&lt;388::AID-JCC5&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#TappuraLT00</rdfs:seeAlso>
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<opus:title>Simultaneous integration of mixed quantum-classical systems by density matrix evolution equations using interaction representation and adaptive time step integrator.</opus:title>
<opus:pages>1287-1295</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
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<opus:title>Simulation of slow reaction with quantum character: Neutral hydrolysis of carboxylic ester.</opus:title>
<opus:pages>886-895</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
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<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#LensinkMB99</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PatchkovskiiT96">
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<opus:title>Analytical second derivatives of the energy in MNDO methods.</opus:title>
<opus:pages>1318-1327</opus:pages>
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<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199608)17:11&lt;1318::AID-JCC4&gt;3.0.CO;2-P</opus:ee>
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<opus:title>NMR chemical shifts in MNDO approximation: Parameters and results for H, C, N, and O.</opus:title>
<opus:pages>1220-1245</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199909)20:12&lt;1220::AID-JCC3&gt;3.0.CO;2-#</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#PatchkovskiiT99</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KirchhoffBKWV01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brown:Rob.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kahn:Scott.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Waldman:Marvin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Venkatachalam:C=_M=.html" />
<opus:title>Application of structure-based focusing to the estrogen receptor.</opus:title>
<opus:pages>993-1003</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1060</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#KirchhoffBKWV01</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/EijckK97">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kroon:Jan.html" />
<opus:title>Fast clustering of equivalent structures in crystal structure prediction.</opus:title>
<opus:pages>1036-1042</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199706)18:8&lt;1036::AID-JCC7&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#EijckK97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/EijckK99">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kroon:Jan.html" />
<opus:title>Upack program package for crystal structure prediction: Force fields and crystal structure generation for small carbohydrate molecules.</opus:title>
<opus:pages>799-812</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199906)20:8&lt;799::AID-JCC6&gt;3.0.CO;2-Z</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#EijckK99</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RazumovMP01">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Melnikov:Vladimir_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pletnev:Igor_V=.html" />
<opus:title>Molecular mechanics calculations of -diketonate, aqua, and aqua-diketonate complexes of lanthanide ions using Gillespie-Kepert model.</opus:title>
<opus:pages>38-50</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010115)22:1&lt;38::AID-JCC5&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#RazumovMP01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NakamuraKIS02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakamura:Shugo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kyono:Daisuke.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Ikeguchi:Mitsunori.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shimizu:Kentaro.html" />
<opus:title>New method for parallel computation of Hessian matrix of conformational energy function in internal coordinates.</opus:title>
<opus:pages>463-469</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10039</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#NakamuraKIS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AugspurgerS96">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:title>An efficient, differentiable hydration potential for peptides and proteins.</opus:title>
<opus:pages>1549-1558</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199610)17:13&lt;1549::AID-JCC6&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#AugspurgerS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AugspurgerS97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:title>An assessment of the accuracy of the RRIGS hydration potential: Comparison to solutions of the Poisson-Boltzmann equation.</opus:title>
<opus:pages>1072-1078</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199706)18:8&lt;1072::AID-JCC11&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#AugspurgerS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FrankcombeS00">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:Sean_C=.html" />
<opus:title>Solving the unimolecular master equation with a weighted subspace projection method.</opus:title>
<opus:pages>592-606</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200006)21:8&lt;592::AID-JCC2&gt;3.0.CO;2-2</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#FrankcombeS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PlattS96">
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<opus:title>Registration, orientation, and similarity of molecular electrostatic potentials through multipole matching.</opus:title>
<opus:pages>358-366</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199602)17:3&lt;358::AID-JCC10&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#PlattS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FosterTWSHKL96">
<opus:last_modified_date>2006-02-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Foster:Ian_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tilson:Jeffrey_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wagner:Albert_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shepard:Ron_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harrison:Robert_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kendall:Ricky_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Littlefield:Rik_J=.html" />
<opus:title>Toward high-performance computational chemistry: I. Scalable Fock matrix construction algorithms.</opus:title>
<opus:pages>109-123</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960115)17:1&lt;109::AID-JCC9&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#FosterTWSHKL96</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CrouzyBSR99">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baudry:J=eacute=r=ocirc=me.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:Jeremy_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roux:Beno=icirc=t.html" />
<opus:title>Efficient calculation of two-dimensional adiabatic and free energy maps: Application to the isomerization of the C13C14 and C15N16 bonds in the retinal of bacteriorhodopsin.</opus:title>
<opus:pages>1644-1658</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991130)20:15&lt;1644::AID-JCC5&gt;3.0.CO;2-Y</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#CrouzyBSR99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DingK96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Ding:Yanbo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Krogh=Jespersen:Karsten.html" />
<opus:title>The 1: 1 glycine zwitterion-water complex: An ab initio electronic structure study.</opus:title>
<opus:pages>338-349</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199602)17:3&lt;338::AID-JCC8&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#DingK96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AroraJ97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Arora:Nidhi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jayaram:B=.html" />
<opus:title>Strength of hydrogen bonds in helices.</opus:title>
<opus:pages>1245-1252</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970715)18:9&lt;1245::AID-JCC12&gt;3.0.CO;2-4</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#AroraJ97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ParkKNJS95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Park:Je_Myung.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kwon:Oh_Young.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/No:Kyoung_Tai.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jhon:Mu_Shik.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:title>Determination of Net Atomics Charges Using a Modified Partial Equalization or Orbital Electronegativity Method. IC. Application to Hypervalent Sulfur and Phosphorus-Containing Molecules.</opus:title>
<opus:pages>1011-1027</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#ParkKNJS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KinoshitaS02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kinoshita:Masahiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sugai:Yoshiki.html" />
<opus:title>Methodology of predicting approximate shapes and size distribution of micelles: Illustration for simple models.</opus:title>
<opus:pages>1445-1455</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10144</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#KinoshitaS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CsonkaEC97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/=/=Eacute=li=aacute=s:Krisztina.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Csizmadia:Imre_G=.html" />
<opus:title>&lt;sup&gt;1&lt;/sup&gt;&lt;sub&gt;4&lt;/sub&gt;ALFA -L-fucose.</opus:title>
<opus:pages>330-342</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199702)18:3&lt;330::AID-JCC4&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#CsonkaEC97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PriceOJ01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Price:Melissa_L=_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ostrovsky:Dennis.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jorgensen:William_L=.html" />
<opus:title>Gas-phase and liquid-state properties of esters, nitriles, and nitro compounds with the OPLS-AA force field.</opus:title>
<opus:pages>1340-1352</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1092</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#PriceOJ01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CsonkaER94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Csonka:G=aacute=bor_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Erd=ouml=sy:Mikl=oacute=klos.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/R=eacute=ffy:J=oacute=zsef.html" />
<opus:title>Structure of Disiloxane: A Semiempirical and Post-Hartree-Fock Study.</opus:title>
<opus:pages>925-936</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#CsonkaER94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CsonkaNK97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kolossv=aacute=ry:Istv=aacute=n.html" />
<opus:title>Simple tests for density functional methods.</opus:title>
<opus:pages>1534-1545</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199709)18:12&lt;1534::AID-JCC10&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#CsonkaNK97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ClareJCHS96">
<opus:last_modified_date>2006-10-05</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Clare:Brian_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jennings:Philip_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cornish:John_C=_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hefter:Glenn_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Santjojo:D=_J=.html" />
<opus:title>Simulation of the infrared spectra of amorphous silicon alloys.</opus:title>
<opus:pages>306-312</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199602)17:3&lt;306::AID-JCC5&gt;3.0.CO;2-Z</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#ClareJCHS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KolossvaryG99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kolossv=aacute=ry:Istv=aacute=n.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Guida:Wayne_C=.html" />
<opus:title>Low-mode conformational search elucidated: Application to C39H80 and flexible docking of 9-deazaguanine inhibitors into PNP.</opus:title>
<opus:pages>1671-1684</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991130)20:15&lt;1671::AID-JCC7&gt;3.0.CO;2-Y</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#KolossvaryG99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KolossvaryK01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kolossv=aacute=ry:Istv=aacute=n.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Keser=uuml=:Gy=ouml=rgy_M=.html" />
<opus:title>Hessian-free low-mode conformational search for large-scale protein loop optimization: application to c-jun N-terminal kinase JNK3.</opus:title>
<opus:pages>21-30</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010115)22:1&lt;21::AID-JCC3&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#KolossvaryK01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AutschbachSSSS02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Autschbach:J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Siekierski:S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Seth:M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schwerdtfeger:P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schwarz:W=_H=_E=.html" />
<opus:title>Dependence of relativistic effects on electronic configuration in the neutral atoms of d- and f-block elements.</opus:title>
<opus:pages>804-813</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10060</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#AutschbachSSSS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GonzalezMY97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gonz=aacute=lez:Leticia.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/M=oacute=:Otilia.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Ya=aacute==ntilde=ez:Manuel.html" />
<opus:title>High-level ab initio versus DFT calculations on (H2O2)2 and H2O2-H2O complexes as prototypes of multiple hydrogen bond systems.</opus:title>
<opus:pages>1124-1135</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970715)18:9&lt;1124::AID-JCC2&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#GonzalezMY97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ExnerKB02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Exner:Thomas_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Keil:Matthias.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brickmann:J=uuml=rgen.html" />
<opus:title>Pattern recognition strategies for molecular surfaces. I. Pattern generation using fuzzy set theory.</opus:title>
<opus:pages>1176-1187</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10086</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#ExnerKB02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ViethHDDB98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vieth:Michal.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirst:Jonathan_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dominy:Brian_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Daigler:Heidi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/III:Charles_L=_Brooks.html" />
<opus:title>Assessing search strategies for flexible docking.</opus:title>
<opus:pages>1623-1631</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981115)19:14&lt;1623::AID-JCC8&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#ViethHDDB98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BaboulSGB98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baboul:Anwar_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schlegel:H=_Bernhard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Glukhovtsev:Mikhail_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bach:Robert_D=.html" />
<opus:title>Computational study on nature of transition structure for oxygen transfer from dioxirane and carbonyloxide.</opus:title>
<opus:pages>1353-1369</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199809)19:12&lt;1353::AID-JCC4&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#BaboulSGB98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NobeliMAT01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nobeli:Irene.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mitchell:John_B=_O=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alex:Alexander.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thornton:Janet_M=.html" />
<opus:title>Evaluation of a knowledge-based potential of mean force for scoring docked protein-ligand complexes.</opus:title>
<opus:pages>673-688</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1036</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#NobeliMAT01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GalanoAMV01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Galano:Annia.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alvarez=Idaboy:J=_Ra=uacute=l.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Montero:Luis_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vivier=Bunge:Annik.html" />
<opus:title>OH hydrogen abstraction reactions from alanine and glycine: A quantum mechanical approach.</opus:title>
<opus:pages>1138-1153</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1073</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#GalanoAMV01</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Amatatsu02a">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Amatatsu:Yoshiaki.html" />
<opus:title>Ab initio study on the photochemical behavior of styrene.</opus:title>
<opus:pages>950-956</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10078</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Amatatsu02a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KongWKSAFLLGAOGKRMNSBMDDZKBBVOHHIFWJGHP00">
<opus:last_modified_date>2005-11-17</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kong:Jing.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/White:Christopher_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Krylov:Anna_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sherrill:David.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Adamson:Ross_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Furlani:Thomas_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Michael_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Aaron_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gwaltney:Steven_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Adams:Terry_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ochsenfeld:Christian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gilbert:Andrew_T=_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kedziora:Gary_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rassolov:Vitaly_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maurice:David_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nair:Nikhil.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shao:Yihan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Besley:Nicholas_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maslen:Paul_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dombroski:Jeremy_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Daschel:Holger.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Weimin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Korambath:Prakashan_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baker:Jon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Byrd:Edward_F=_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Voorhis:Troy_A=_Van.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oumi:Manabu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirata:So.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hsu:Chao=Ping.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Ishikawa:Naoto.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Flori=aacute=n:Jan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Warshel:Arieh.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Johnson:Benny_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gill:Peter_M=_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Head=Gordon:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pople:John_A=.html" />
<opus:title>Q-Chem 2.0: a high-performance ab initio electronic structure program package.</opus:title>
<opus:pages>1532-1548</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200012)21:16&lt;1532::AID-JCC10&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#KongWKSAFLLGAOGKRMNSBMDDZKBBVOHHIFWJGHP00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MetzgerFG97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Metzger:Thomas_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Ferguson:David_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Glauser:William_A=.html" />
<opus:title>A computational analysis of interaction energies in methane and neopentane dimer systems.</opus:title>
<opus:pages>70-79</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970115)18:1&lt;70::AID-JCC7&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#MetzgerFG97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DorigoSH94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dorigo:Andrea.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schleyer:Paul_von_Ragu=eacute=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hobza:Pavel.html" />
<opus:title>The Structures of LiNC, NaNC, and KNC: Potential Energy Surface for the Orbiting Motion of the Metal Cation around the CN Group.</opus:title>
<opus:pages>322-332</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#DorigoSH94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WidjajaG02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Widjaja:Effendi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Garland:Marc.html" />
<opus:title>Pure component spectral reconstruction from mixture data using SVD, global entropy minimization, and simulated annealing. Numerical investigations of admissible objective functions using a synthetic 7-species data set.</opus:title>
<opus:pages>911-919</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10080</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#WidjajaG02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZhangGFL01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Linda_Yu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gallicchio:Emilio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Friesner:Richard_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Levy:Ronald_M=.html" />
<opus:title>Solvent models for protein-ligand binding: Comparison of implicit solvent poisson and surface generalized born models with explicit solvent simulations.</opus:title>
<opus:pages>591-607</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1031</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#ZhangGFL01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DoniniW98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Donini:Oreola.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weaver:Donald_F=.html" />
<opus:title>Development of modified force field for cation-amino acid interactions: Ab initio-derived empirical correction terms with comments on cation- interactions.</opus:title>
<opus:pages>1515-1525</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199810)19:13&lt;1515::AID-JCC8&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#DoniniW98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChengNS96">
<opus:last_modified_date>2005-03-01</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cheng:Betty.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nayeem:Akbar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:title>From secondary structure to three-dimensional structure: Improved dihedral angle probability distribution function for use with energy searches for native structures of polypeptides and proteins.</opus:title>
<opus:pages>1453-1480</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199609)17:12&lt;1453::AID-JCC6&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#ChengNS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FrenchKJDC01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/French:Alfred_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kelterer:Anne=Marie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Johnson:Glenn_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dowd:Michael_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cramer:Christopher_J=.html" />
<opus:title>HF/6-31G* energy surfaces for disaccharide analogs.</opus:title>
<opus:pages>65-78</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010115)22:1&lt;65::AID-JCC7&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#FrenchKJDC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BolBCRS98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bol:Johan_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Buning:Christian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Comba:Peter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reedijk:Jan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Str=ouml=hle:Marc.html" />
<opus:title>Molecular mechanics modeling of organic backbone of metal-free and coordinated ligands.</opus:title>
<opus:pages>512-523</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980415)19:5&lt;512::AID-JCC4&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#BolBCRS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TunonRRB96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tu=ntilde==oacute=n:I=ntilde=aki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruiz=L=oacute=pez:Manuel_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rinaldi:Daniel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bertr=aacute=n:Juan.html" />
<opus:title>Computation of hydration free energies using a parameterized continuum model: Study of equilibrium geometries and reactive processes in water solution.</opus:title>
<opus:pages>148-155</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960130)17:2&lt;148::AID-JCC2&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#TunonRRB96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TielensLOG00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tielens:Frederik_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Langenaeker:Wilfried.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ocakoglu:Ahmet_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Geerlings:Paul.html" />
<opus:title>Quantum chemical calculation of Henry constants of diatomic molecules in faujasite-type zeolites.</opus:title>
<opus:pages>909-922</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200008)21:11&lt;909::AID-JCC1&gt;3.0.CO;2-6</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#TielensLOG00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JugGH00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jug:Karl.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Geudtner:Gerald.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Homann:Thorsten.html" />
<opus:title>MSINDO parameterization for third-row main group elements.</opus:title>
<opus:pages>974-987</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200008)21:11&lt;974::AID-JCC7&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#JugGH00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JugKN99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jug:Karl.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/K=ouml=lle:Christian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Neumann:Frank.html" />
<opus:title>Treatment of reactions in solutions with isodensity surfaces.</opus:title>
<opus:pages>301-304</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199902)20:3&lt;301::AID-JCC2&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#JugKN99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WitekCFH02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Witek:Henryk_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Choe:Yoong=Kee.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Finley:James_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirao:Kimihiko.html" />
<opus:title>Intruder state avoidance multireference M&#248;ller-Plesset perturbation theory.</opus:title>
<opus:pages>957-965</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10098</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#WitekCFH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GluntHR94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Glunt:William.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hayden:Thomas_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Raydan:Marcos.html" />
<opus:title>Preconditioners for Distance Matrix Algorithms.</opus:title>
<opus:pages>227-232</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#GluntHR94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TordaG94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Torda:Andrew_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gunsteren:Wilfred_F=_van.html" />
<opus:title>Algorithms for Clustering Molecular Dynamics Confogurations.</opus:title>
<opus:pages>1331-1340</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#TordaG94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Bofill01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bofill:Josep_Maria.html" />
<opus:title>Reply on the comment On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states [by J. M. Anglada, E. Besal&#250;, J. M. Bofill, and R. Crehuet, J Comput Chem 2001, 22, 4, 387-406].</opus:title>
<opus:pages>541-544</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010415)22:5&lt;541::AID-JCC1026&gt;3.0.CO;2-4</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Bofill01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Bofill94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bofill:Josep_Maria.html" />
<opus:title>Updated Hessian Matrix and the Restricted Step Method for Locating Transition Structures.</opus:title>
<opus:pages>1-11</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Bofill94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KuttelBN02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kuttel:Michelle.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brady:J=_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Naidoo:Kevin_J=.html" />
<opus:title>Carbohydrate solution simulations: Producing a force field with experimentally consistent primary alcohol rotational frequencies and populations.</opus:title>
<opus:pages>1236-1243</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10119</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#KuttelBN02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DominyBB02">
<opus:last_modified_date>2004-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dominy:Brian_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/III:Charles_L=_Brooks.html" />
<opus:title>Identifying native-like protein structures using physics-based potentials.</opus:title>
<opus:pages>147-160</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10018</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#DominyBB02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/QuZLZ02">
<opus:last_modified_date>2004-12-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/q/Qu:Zheng=Wang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhu:Hui.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Ze=Sheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Qi=Yuan.html" />
<opus:title>Theoretical study on the mechanism of the gas-phase reaction of diborane(3) anion with carbon disulfide.</opus:title>
<opus:pages>414-419</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1171</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#QuZLZ02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LabanowskiSCA98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Labanowski:Jan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schmitz:Lawrence.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Kuo=Hsiang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:title>Heats of formation of organic molecules calculated by density functional theory: II. Alkanes.</opus:title>
<opus:pages>1421-1430</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199809)19:12&lt;1421::AID-JCC8&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#LabanowskiSCA98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/EwingK97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Ewing:Todd_J=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kuntz:Irwin_D=.html" />
<opus:title>Critical evaluation of search algorithms for automated molecular docking and database screening.</opus:title>
<opus:pages>1175-1189</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970715)18:9&lt;1175::AID-JCC6&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#EwingK97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DeharengD00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dehareng:Dominique.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dive:Georges.html" />
<opus:title>Hartree-Fock instabilities and electronic properties.</opus:title>
<opus:pages>483-504</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000430)21:6&lt;483::AID-JCC7&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#DeharengD00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AdamsonDG99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Adamson:Ross_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dombroski:Jeremy_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gill:Peter_M=_W=.html" />
<opus:title>Efficient calculation of short-range Coulomb energies.</opus:title>
<opus:pages>921-927</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990715)20:9&lt;921::AID-JCC3&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#AdamsonDG99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LuqueO98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luque:F=_Javier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Orozco:Modesto.html" />
<opus:title>Polarization effects in generalized molecular interaction potential: New Hamiltonian for reactivity studies and mixed QM/MM calculations.</opus:title>
<opus:pages>866-881</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199806)19:8&lt;866::AID-JCC6&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#LuqueO98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ForesDSA00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/For=eacute=s:Marta.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Duran:Miquel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sol=agrave=:Miquel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Adamowicz:Ludwik.html" />
<opus:title>Theoretical characterization of intramolecular proton transfer in the ground and the lowest-lying triplet excited states of 1-amino-3-propenal: a methodological comparison.</opus:title>
<opus:pages>257-269</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200003)21:4&lt;257::AID-JCC2&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#ForesDSA00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiangSWB00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liang:Guyan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sorensen:Jennifer_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Whitmire:David.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bowen:J=_Phillip.html" />
<opus:title>Molecular mechanics (MM3) parameterization for oxocarbenium ions.</opus:title>
<opus:pages>329-339</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000415)21:5&lt;329::AID-JCC1&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#LiangSWB00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SmithH98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:Brian_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hall:Nathan_E=.html" />
<opus:title>Atomic radii: Incorporation of solvation effects.</opus:title>
<opus:pages>1482-1493</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199810)19:13&lt;1482::AID-JCC5&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#SmithH98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JakalianJB02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jakalian:Araz.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jack:David_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bayly:Christopher_I=.html" />
<opus:title>Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation.</opus:title>
<opus:pages>1623-1641</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10128</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#JakalianJB02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CamposR95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Campos:Frederico_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rollett:John_S=.html" />
<opus:title>The Exponents Method for Calculating Equilibrium Concentrations of Complex Species in Solution.</opus:title>
<opus:pages>534-544</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#CamposR95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VyboishchikovSF97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vyboishchikov:Sergei_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sierraalta:Anibal.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Frenking:Gernot.html" />
<opus:title>Topological analysis of electron density distribution taken from a pseudopotential calculation.</opus:title>
<opus:pages>416-429</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199702)18:3&lt;416::AID-JCC11&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#VyboishchikovSF97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AllingerD00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Durkin:Kathleen_A=.html" />
<opus:title>Van der Waals effects between hydrogen and first-row atoms in molecular mechanics (MM3/MM4).</opus:title>
<opus:pages>1229-1242</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20001115)21:14&lt;1229::AID-JCC2&gt;3.0.CO;2-9</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#AllingerD00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AllingerF94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fan:Yi.html" />
<opus:title>Force Field Calculations (MM3) on Glyoxal, Quinones, and Related Compounds.</opus:title>
<opus:pages>251-268</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#AllingerF94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KairysG02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kairys:Visvaldas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gilson:Michael_K=.html" />
<opus:title>Enhanced docking with the mining minima optimizer: Acceleration and side-chain flexibility.</opus:title>
<opus:pages>1656-1670</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10168</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#KairysG02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Quapp01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/q/Quapp:Wolfgang.html" />
<opus:title>Comment On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states [by J. M. Anglada, E. Besal&#250;, J. M. Bofill, and R. Crehuet, J Comput Chem 2001, 22, 4, 387-406].</opus:title>
<opus:pages>537-540</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010415)22:5&lt;537::AID-JCC1025&gt;3.0.CO;2-4</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Quapp01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SenderowitzS98a">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Senderowitz:Hanoch.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Still:W=_Clark.html" />
<opus:title>MC(JBW): Simple but smart Monte Carlo algorithm for free energy simulations of multiconformational molecules.</opus:title>
<opus:pages>1736-1745</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981130)19:15&lt;1736::AID-JCC6&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#SenderowitzS98a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GogoneaO95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gogonea:Valentin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Osawa:Eihi.html" />
<opus:title>An Improved Algorithm for the Analystical Computation of Solvent-Excluded Volume. The Treatment of Singulatities in Solvent-Accessible Surface Area and Volume Functions.</opus:title>
<opus:pages>817-842</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#GogoneaO95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Feller96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Feller:David.html" />
<opus:title>The role of databases in support of computational chemistry calculations.</opus:title>
<opus:pages>1571-1586</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199610)17:13&lt;1571::AID-JCC9&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#Feller96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DucaBV98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Duca:Dario.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baranyai:P=eacute=ter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vid=oacute=czy:Tam=aacute=s.html" />
<opus:title>Monte-Carlo model for the hydrogenation of alkenes on metal catalyst.</opus:title>
<opus:pages>396-403</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199803)19:4&lt;396::AID-JCC2&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#DucaBV98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GoncalvesS02">
<opus:last_modified_date>2004-09-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gon=ccedil=alves:Paulo_Fernando_Bruno.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stassen:Hubert.html" />
<opus:title>New approach to free energy of solvation applying continuum models to molecular dynamics simulation.</opus:title>
<opus:pages>706-714</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10076</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#GoncalvesS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Klein02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Klein:Roger_A=.html" />
<opus:title>Ab initio conformational studies on diols and binary diol-water systems using DFT methods. Intramolecular hydrogen bonding and 1: 1 complex formation with water.</opus:title>
<opus:pages>585-599</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10053</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Klein02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DachselLSNH97">
<opus:last_modified_date>2004-12-02</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dachsel:Holger.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lischka:Hans.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shepard:Ron_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nieplocha:Jarek.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harrison:Robert_J=.html" />
<opus:title>A massively parallel multireference configuration interaction program: The parallel COLUMBUS program.</opus:title>
<opus:pages>430-448</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199702)18:3&lt;430::AID-JCC12&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#DachselLSNH97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BeckersB98">
<opus:last_modified_date>2004-09-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Beckers:Mischa_L=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Buydens:Lutgarde_M=_C=.html" />
<opus:title>Multivariate analysis of a data matrix containing A-DNA and B-DNA dinucleoside monophosphate steps: Multidimensional Ramachandran plots for nucleic acids.</opus:title>
<opus:pages>695-715</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199805)19:7&lt;695::AID-JCC2&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#BeckersB98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JudsonTMMJTM95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Judson:Richard_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tan:Y=_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mori:E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Melius:C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jaeger:Edward_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Treasurywala:Adi_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mathiowetz:A=.html" />
<opus:title>Docking Flexible Molecules: A Case Study of Three Proteins.</opus:title>
<opus:pages>1405-1419</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#JudsonTMMJTM95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GraftonW98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grafton:Anthony_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wheeler:Ralph_A=.html" />
<opus:title>Vibrational projection analysis: New tool for quantitatively comparing vibrational normal modes of similar molecules.</opus:title>
<opus:pages>1663-1674</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981115)19:14&lt;1663::AID-JCC11&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#GraftonW98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NakamuraIS98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakamura:Shugo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Ikeguchi:Mitsunori.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shimizu:Kentaro.html" />
<opus:title>Parallel algorithm for efficient calculation of second derivatives of conformational energy function in internal coordinates.</opus:title>
<opus:pages>1716-1723</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981130)19:15&lt;1716::AID-JCC4&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#NakamuraIS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AngladaBBC01a">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Anglada:Josep_Maria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Besal=uacute=:Emili.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bofill:Josep_Maria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Crehuet:Ramon.html" />
<opus:title>On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states.</opus:title>
<opus:pages>803</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1045</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#AngladaBBC01a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AngladaBBC99a">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Anglada:Josep_Maria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Besal=uacute=:Emili.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bofill:Josep_Maria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Crehuet:Ramon.html" />
<opus:title>Prediction of approximate transition states by Bell-Evans-Polanyi principle: II. Gas phase unimolecular decomposition of methyldioxirane.</opus:title>
<opus:pages>1130-1137</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199908)20:11&lt;1130::AID-JCC3&gt;3.0.CO;2-3</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#AngladaBBC99a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Arteca94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Arteca:Gustavo_A=.html" />
<opus:title>Shape Analysis of Hydrogen-Bonded Networks in Solvation Clusters.</opus:title>
<opus:pages>633-643</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Arteca94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TsipisT02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tsipis:Athanassios_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tsipis:Constantinos_A=.html" />
<opus:title>Mechanistic aspects of the dehydration and dehydrohalogenation of halo-hydroxyformaldoxime conformers. A quantum chemical model study.</opus:title>
<opus:pages>1266-1280</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10116</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#TsipisT02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BakerC96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baker:Jon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chan:Fora.html" />
<opus:title>The location of transition states: A comparison of Cartesian, Z-matrix, and natural internal coordinates.</opus:title>
<opus:pages>888-904</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199605)17:7&lt;888::AID-JCC12&gt;3.0.CO;2-7</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#BakerC96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BakerG00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baker:Thomas_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gellene:Gregory_I=.html" />
<opus:title>A hybrid ab initio/free electron computational model for conjugated dye molecules: Simple cyanines and oxonols.</opus:title>
<opus:pages>943-953</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200008)21:11&lt;943::AID-JCC4&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#BakerG00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BakerP00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baker:Jon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pulay:Peter.html" />
<opus:title>Efficient geometry optimization of molecular clusters.</opus:title>
<opus:pages>69-76</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000115)21:1&lt;69::AID-JCC8&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#BakerP00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BakerP02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baker:Jon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pulay:Peter.html" />
<opus:title>An efficient parallel algorithm for the calculation of canonical MP2 energies.</opus:title>
<opus:pages>1150-1156</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10071</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#BakerP02</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BakerP98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pulay:Peter.html" />
<opus:title>Predicting the vibrational spectra of some simple fluorocarbons by direct scaling of primitive valence force constants.</opus:title>
<opus:pages>1187-1204</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980730)19:10&lt;1187::AID-JCC7&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#BakerP98</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Vyazovkin01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vyazovkin:Sergey.html" />
<opus:title>Modification of the integral isoconversional method to account for variation in the activation energy.</opus:title>
<opus:pages>178-183</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010130)22:2&lt;178::AID-JCC5&gt;3.0.CO;2-#</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Vyazovkin01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Vyazovkin97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vyazovkin:Sergey.html" />
<opus:title>Evaluation of activation energy of thermally stimulated solid-state reactions under arbitrary variation of temperature.</opus:title>
<opus:pages>393-402</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Vyazovkin97</rdfs:seeAlso>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199702)18:3&lt;393::AID-JCC9&gt;3.0.CO;2-P</opus:ee>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ReilingBSB96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reiling:Stephan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brickmann:J=uuml=rgen.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schlenkrich:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bopp:Philippe_A=.html" />
<opus:title>Theoretical investigations on 1, 2-ethanediol: The problem of intramolecular hydrogen bonds.</opus:title>
<opus:pages>133-147</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960130)17:2&lt;133::AID-JCC1&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#ReilingBSB96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ApostolakisPC98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Apostolakis:Joannis.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pl=uuml=ckthun:Andreas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Caflisch:Amedeo.html" />
<opus:title>Docking small ligands in flexible binding sites.</opus:title>
<opus:pages>21-37</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980115)19:1&lt;21::AID-JCC2&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#ApostolakisPC98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LangleyLA01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Langley:Charles_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lii:Jenn=Huei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:title>Molecular mechanics (MM4) calculations on carbonyl compounds part I: aldehydes.</opus:title>
<opus:pages>1396-1425</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1098</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#LangleyLA01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/QuinetCK01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/q/Quinet:Olivier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Champagne:Beno=icirc=t.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kirtman:Bernard.html" />
<opus:title>Analytical TDHF second derivatives of dynamic electronic polarizability with respect to nuclear coordinates. Application to the dynamic ZPVA correction.</opus:title>
<opus:pages>1920-1932</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1142</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#QuinetCK01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/QuinetCK02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/q/Quinet:Olivier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Champagne:Beno=icirc=t.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kirtman:Bernard.html" />
<opus:title>Analytical TDHF second derivatives of dynamic electronic polarizability with respect to nuclear coordinates. Application to the dynamic ZPVA correction.</opus:title>
<opus:pages>1495-1496</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1174</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#QuinetCK02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/YoungB94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Young:William_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/III:Charles_L=_Brooks.html" />
<opus:title>Implementation of a Data Parallel, Logical Domain Decomposition Method for Interparticle Interactions in Molecular Dynamics of Structured Molecular Fluids.</opus:title>
<opus:pages>44-53</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#YoungB94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/YoungB95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Young:William_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/III:Charles_L=_Brooks.html" />
<opus:title>Dynamic Load Balancing Algorithms for Replicated Data Molecular Dynamics.</opus:title>
<opus:pages>715-722</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#YoungB95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MitchellLAFT99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mitchell:John_B=_O=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Laskowski:Roman_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alex:Alexander.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Forster:Mark_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thornton:Janet_M=.html" />
<opus:title>BLEEP - potential of mean force describing protein-ligand interactions: II. Calculation of binding energies and comparison with experimental data.</opus:title>
<opus:pages>1177-1185</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199908)20:11&lt;1177::AID-JCC8&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#MitchellLAFT99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PierceSDM00">
<opus:last_modified_date>2003-11-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pierce:Niles_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Spriet:Jan_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Desmet:J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mayo:Stephen_L=.html" />
<opus:title>Conformational splitting: A more powerful criterion for dead-end elimination.</opus:title>
<opus:pages>999-1009</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200008)21:11&lt;999::AID-JCC9&gt;3.0.CO;2-A</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#PierceSDM00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AgrafiotisL01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Agrafiotis:Dimitris_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lobanov:Victor_S=.html" />
<opus:title>Multidimensional scaling of combinatorial libraries without explicit enumeration.</opus:title>
<opus:pages>1712-1722</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1126</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#AgrafiotisL01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/YorkBDPA94">
<opus:last_modified_date>2006-04-06</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/York:Darrin_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bartolotti:Lee_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Darden:Thomas_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pedersen:Lee_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Anderson:M=_W=.html" />
<opus:title>Simulations of the Solution Structure of HIV-1 Protease in the Presence and Absence of Bound Zinc.</opus:title>
<opus:pages>61-71</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#YorkBDPA94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/YiuTT97">
<opus:last_modified_date>2004-03-16</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yiu:K=_F=_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tam:Kin_Y=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tsang:S=_C=.html" />
<opus:title>Crystal indexing method using a simulated annealing algorithm with particular applications in nanocrystal research.</opus:title>
<opus:pages>290-299</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970130)18:2&lt;290::AID-JCC13&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#YiuTT97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DudekP95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dudek:Michael_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Ponder:Jay_W=.html" />
<opus:title>Accurate Modeling of the Intramolecular Electrostaric Energy of Proteins.</opus:title>
<opus:pages>791-816</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#DudekP95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Wouters00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wouters:Johan.html" />
<opus:title>Use of theoretical descriptors to characterize cation- binding sites in (macro)molecules.</opus:title>
<opus:pages>847-855</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20000730)21:10&lt;847::AID-JCC3&gt;3.0.CO;2-8</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#Wouters00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JayaramMDDB02">
<opus:last_modified_date>2006-08-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jayaram:B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McConnell:K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dixit:Surjit_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Das:A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Beveridge:David_L=.html" />
<opus:title>Free-energy component analysis of 40 protein-DNA complexes: A consensus view on the thermodynamics of binding at the molecular level.</opus:title>
<opus:pages>1-14</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10009</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#JayaramMDDB02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GuvenchWSKS02">
<opus:last_modified_date>2006-07-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Guvench:Olgun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weiser:J=ouml=rg.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shenkin:Peter_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kolossv=aacute=ry:Istv=aacute=n.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Still:W=_Clark.html" />
<opus:title>Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy.</opus:title>
<opus:pages>214-221</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1167</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#GuvenchWSKS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BallED02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Ball:Keith_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Erman:Burak.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dill:Ken_A=.html" />
<opus:title>The elastic net algorithm and protein structure prediction.</opus:title>
<opus:pages>77-83</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1158</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#BallED02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HwangCCC99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hwang:Ming=Jing.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chu:Pei=Ying.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Jye=Chan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chao:Ito.html" />
<opus:title>Conformational analysis of three pyrophosphate model species: Diphosphate, methyl diphosphate, and triphosphate.</opus:title>
<opus:pages>1702-1715</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199912)20:16&lt;1702::AID-JCC3&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#HwangCCC99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BushBH99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bush:Bruce_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bayly:Christopher_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Halgren:Thomas_A=.html" />
<opus:title>Consensus bond-charge increments fitted to electrostatic potential or field of many compounds: Application to MMFF94 training set.</opus:title>
<opus:pages>1495-1516</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991115)20:14&lt;1495::AID-JCC3&gt;3.0.CO;2-3</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#BushBH99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/IhlenfeldtG94">
<opus:last_modified_date>2003-08-21</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Ihlenfeldt:Wolf=Dietrich.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gasteiger:Johann.html" />
<opus:title>Hash Codes for the Indentification and Classification of Molecular Structure Elements.</opus:title>
<opus:pages>793-813</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#IhlenfeldtG94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MallikML02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mallik:Buddhadeb.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Masunov:Artem.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lazaridis:Themis.html" />
<opus:title>Distance and exposure dependent effective dielectric function.</opus:title>
<opus:pages>1090-1099</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10104</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#MallikML02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZeleCM01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zele:Christopher_J=_Van.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cunningham:Mark_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Makinen:Marvin_W=.html" />
<opus:title>Validation of nitroxyl spin-label force-field parameters through molecular dynamics simulations.</opus:title>
<opus:pages>1113-1123</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1071</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#ZeleCM01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Taverner96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Taverner:B=_Craig.html" />
<opus:title>Improved algorithm for accurate computation of molecular solid angles.</opus:title>
<opus:pages>1612-1623</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19961115)17:14&lt;1612::AID-JCC3&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#Taverner96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Bickelhaupt99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bickelhaupt:F=_Matthias.html" />
<opus:title>Understanding reactivity with Kohn-Sham molecular orbital theory: E2-SN2 mechanistic spectrum and other concepts.</opus:title>
<opus:pages>114-128</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990115)20:1&lt;114::AID-JCC12&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Bickelhaupt99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VersteegK94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Versteeg:Uwe.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Koch:Wolfram.html" />
<opus:title>&lt;sub&gt;8&lt;/sub&gt;&lt;sub&gt;8&lt;/sub&gt;: An Ab Inition MO Study.</opus:title>
<opus:pages>1151-1162</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#VersteegK94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AymaCRC97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Ayma:David.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Campillo:Jean_Pierre.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/R=eacute=rat:Michel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Caus=agrave=:Mauro.html" />
<opus:title>Ab initio calculation of dynamic polarizability and dielectric constant of carbon and silicon cubic crystals.</opus:title>
<opus:pages>1253-1263</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970730)18:10&lt;1253::AID-JCC1&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#AymaCRC97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DuncanBT98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Duncan:Wendell_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bell:Robert_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Truong:Thanh_N=.html" />
<opus:title>TheRate: Program for ab initio direct dynamics calculations of thermal and vibrational-state-selected rate constants.</opus:title>
<opus:pages>1039-1052</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980715)19:9&lt;1039::AID-JCC5&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#DuncanBT98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FerenczyA01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Ferenczy:Gy=ouml=rgy_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/=/=Aacute=ngy=aacute=n:J=aacute=nos_G=.html" />
<opus:title>Intra- and intermolecular interactions in crystals of polar molecules. A study by the mixed quantum mechanical/molecular mechanical SCMP-NDDO method.</opus:title>
<opus:pages>1679-1690</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1123</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#FerenczyA01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZeigarnikV98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zeigarnik:Andrew_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vald=eacute=s=P=eacute=rez:Ra=uacute=l_E=.html" />
<opus:title>Systematic prediction of the products and intermediates of isotopic labeling in reaction pathway studies.</opus:title>
<opus:pages>741-753</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199805)19:7&lt;741::AID-JCC5&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#ZeigarnikV98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AmatCP98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Amat:Llu=iacute=s.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carb=oacute==Dorca:Ramon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Ponec:Robert.html" />
<opus:title>Molecular quantum similarity measures as an alternative to log P values in QSAR studies.</opus:title>
<opus:pages>1575-1583</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981115)19:14&lt;1575::AID-JCC3&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#AmatCP98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PayneRRCD99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Payne:R=_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rowe:Raymond_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roberts:R=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Charlton:M=_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Docherty:R=.html" />
<opus:title>Potential polymorphs of aspirin.</opus:title>
<opus:pages>262-273</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990130)20:2&lt;262::AID-JCC8&gt;3.0.CO;2-8</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#PayneRRCD99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FukunishiS97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fukunishi:Yoshifumi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Suzuki:Makoto.html" />
<opus:title>Potential of mean force calculation of solute molecules in water by a modified solvent-accessible surface method.</opus:title>
<opus:pages>1656-1663</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199710)18:13&lt;1656::AID-JCC7&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#FukunishiS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BerwegerGM97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berweger:Christian_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gunsteren:Wilfred_F=_van.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/M=uuml=ller=Plathe:Florian.html" />
<opus:title>Finite element interpolation for combined classical/quantum mechanical molecular dynamics simulations.</opus:title>
<opus:pages>1484-1495</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199709)18:12&lt;1484::AID-JCC6&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#BerwegerGM97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KochE95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Koch:Uwe.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Egent:Ernst.html" />
<opus:title>An Improbed Description of the Molecular Charge Density in Force Fields with Atomic Multipole Moments.</opus:title>
<opus:pages>937-944</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#KochE95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/OrozcoBL95">
<opus:last_modified_date>2004-09-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Orozco:Modesto.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bachs:Margarida.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luque:F=_Javier.html" />
<opus:title>Development of Optimized MST/SCRF Methods for Semiempirical Calculations: The MNDO and PM3 Hamilitonians.</opus:title>
<opus:pages>563-575</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#OrozcoBL95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PascuttiMIB99">
<opus:last_modified_date>2005-03-10</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pascutti:Pedro_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mundim:Kleber_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Ito:Amando_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bisch:Paulo_Mascarello.html" />
<opus:title>Polarization effects on peptide conformations at water-membrane interface by molecular dynamics simulation.</opus:title>
<opus:pages>971-982</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990715)20:9&lt;971::AID-JCC8&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#PascuttiMIB99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HassanzedehI98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hassanzedeh:Parviz.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Irikura:Karl_K=.html" />
<opus:title>Inexpensive vibrational anharmonicities from estimated derivatives: Diatomic molecules.</opus:title>
<opus:pages>1315-1324</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199808)19:11&lt;1315::AID-JCC11&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#HassanzedehI98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VrevenM00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vreven:Thom.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Morokuma:Keiji.html" />
<opus:title>On the application of the IMOMO (integrated molecular orbital + molecular orbital) method.</opus:title>
<opus:pages>1419-1432</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200012)21:16&lt;1419::AID-JCC1&gt;3.0.CO;2-C</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#VrevenM00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/StreekVBV02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Streek:Jacco_Van_de.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Verwer:Paul.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bennema:Piet.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vlieg:Elias.html" />
<opus:title>On the irrelevance of electrostatics for the crystal structures and polymorphism of long even n-alkanes.</opus:title>
<opus:pages>365-370</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10028</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#StreekVBV02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DelfiniNC96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Delfini:D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nicolini:C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carrara:E=_A=.html" />
<opus:title>Performance analysis of the double-iterated Kalman filter for molecular structure estimation.</opus:title>
<opus:pages>74-86</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960115)17:1&lt;74::AID-JCC7&gt;3.0.CO;2-Y</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#DelfiniNC96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SaueH02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Saue:Trond.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Helgaker:Trygve.html" />
<opus:title>Four-component relativistic Kohn-Sham theory.</opus:title>
<opus:pages>814-823</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10066</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#SaueH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Biegler-KonigS02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Biegler=K=ouml=nig:Friedrich.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sch=ouml=nbohm:Jens.html" />
<opus:title>Update of the AIM2000-Program for atoms in molecules.</opus:title>
<opus:pages>1489-1494</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10085</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Biegler-KonigS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PhilippF99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Philipp:Dean_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Friesner:Richard_A=.html" />
<opus:title>Mixed ab initio QM/MM modeling using frozen orbitals and tests with alanine dipeptide and tetrapeptide.</opus:title>
<opus:pages>1468-1494</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991115)20:14&lt;1468::AID-JCC2&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#PhilippF99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KdzierskiS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kdzierski:Pawel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sokalski:W=_Andrzej.html" />
<opus:title>Analysis of the transferability of atomic multipoles for amino acids in modeling macromolecular charge distribution from fragments.</opus:title>
<opus:pages>1082-1097</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1068</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#KdzierskiS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GerwensJ95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gerwens:Heiko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jug:Karl.html" />
<opus:title>SINDO1 Study of the Photoreaction of Tetramethylene Sulfone.</opus:title>
<opus:pages>405-413</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#GerwensJ95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Chesnut01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chesnut:D=_B=.html" />
<opus:title>Localization function study of excitation processes in a set of small isoelectronic molecules.</opus:title>
<opus:pages>1702-1711</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1125</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Chesnut01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Chesnut95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chesnut:D=_B=.html" />
<opus:title>A Comparative Quatnum Mechanical Study of Bond Separation Energies as a Measure of Cyclic Conjugation.</opus:title>
<opus:pages>1227-1237</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#Chesnut95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LeeKL95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Ikchoon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kim:Chang_Kon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Bon=Su.html" />
<opus:title>Ab Initio Orbital Studies of Nonidentity Allyl Transfer Reactions.</opus:title>
<opus:pages>1045-1054</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#LeeKL95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Taylor99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Taylor:Ethan_Will.html" />
<opus:title>Book review.</opus:title>
<opus:pages>284-286</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990130)20:2&lt;284::AID-JCC10&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Taylor99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LeePK99">
<opus:last_modified_date>2003-03-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Sang=Ho.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Palm=ouml=:Kim.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Krimm:Samuel.html" />
<opus:title>New out-of-plane angle and bond angle internal coordinates and related potential energy functions for molecular mechanics and dynamics simulations.</opus:title>
<opus:pages>1067-1084</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990730)20:10&lt;1067::AID-JCC9&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#LeePK99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RepaskyCJ02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Repasky:Matthew_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chandrasekhar:Jayaraman.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jorgensen:William_L=.html" />
<opus:title>Improved semiempirical heats of formation through the use of bond and group equivalents.</opus:title>
<opus:pages>498-510</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10023</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#RepaskyCJ02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LeeSR97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Jooyoung.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rackovsky:Shelly.html" />
<opus:title>New optimization method for conformational energy calculations on polypeptides: Conformational space annealing.</opus:title>
<opus:pages>1222-1232</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970715)18:9&lt;1222::AID-JCC10&gt;3.0.CO;2-7</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#LeeSR97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KonoD96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kono:Hidetoschi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Doi:Junta.html" />
<opus:title>A new method for side-chain conformation prediction using a Hopfield network and reproduced rotamers.</opus:title>
<opus:pages>1667-1683</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19961115)17:14&lt;1667::AID-JCC8&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#KonoD96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GomesC02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gomes:Andr=eacute=_Severo_Pereira.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Custodio:Rog=eacute=rio.html" />
<opus:title>Exact Gaussian expansions of Slater-type atomic orbitals.</opus:title>
<opus:pages>1007-1012</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10090</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#GomesC02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GriffithBT97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Griffith:Renate.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bremner:John_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Titmuss:Stephen_J=.html" />
<opus:title>Molecular mechanics study of transannular amine-ketone (NC(DOUBLE BOND)O) interaction in medium-sized heterocycles.</opus:title>
<opus:pages>1211-1221</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970715)18:9&lt;1211::AID-JCC9&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#GriffithBT97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZhengWSPY02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zheng:Kangcheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Juping.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shen:Yong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Peng:Wenlie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yun:Fengcun.html" />
<opus:title>Studies on 4, 7-di-substitution effects of one ligand in [Ru(Phen)3]2 with DFT method.</opus:title>
<opus:pages>436-443</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10038</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#ZhengWSPY02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PrallWFS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Prall:Matthias.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wittkopp:Alexander.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fokin:Andrey_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schreiner:Peter_R=.html" />
<opus:title>Substituent effects on the Bergman cyclization of (Z)-1, 5-hexadiyne-3-enes: a systematic computational study.</opus:title>
<opus:pages>1605-1614</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1114</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#PrallWFS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HeardY96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Heard:George_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yates:Brian_F=.html" />
<opus:title>Hybrid supermolecule-polarizable continuum approach to solvation: Application to the mechanism of the Stevens rearrangement.</opus:title>
<opus:pages>1444-1452</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199609)17:12&lt;1444::AID-JCC5&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#HeardY96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ReindlCS96">
<opus:last_modified_date>2004-09-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reindl:Bernd.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Clark:Timothy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schleyer:Paul_von_Ragu=eacute=.html" />
<opus:title>A new method for empirical force field calculations on localized and delocalized carbocations.</opus:title>
<opus:pages>1406-1430</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199609)17:12&lt;1406::AID-JCC3&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#ReindlCS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ReindlCS97">
<opus:last_modified_date>2004-09-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reindl:Bernd.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Clark:Timothy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schleyer:Paul_von_Ragu=eacute=.html" />
<opus:title>Empirical force-field and ab initio calculations on delocalized open chain cations.</opus:title>
<opus:pages>28-44</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970115)18:1&lt;28::AID-JCC4&gt;3.0.CO;2-1</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#ReindlCS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WeiserHF97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weiser:J=ouml=rg.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Holthausen:Max_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fitjer:Lutz.html" />
<opus:title>HUNTER: A conformational search program for acyclic to polycyclic molecules with special emphasis on stereochemistry.</opus:title>
<opus:pages>1264-1281</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970730)18:10&lt;1264::AID-JCC2&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#WeiserHF97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WeiserSS99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weiser:J=ouml=rg.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shenkin:Peter_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Still:W=_Clark.html" />
<opus:title>Approximate atomic surfaces from linear combinations of pairwise overlaps (LCPO).</opus:title>
<opus:pages>217-230</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990130)20:2&lt;217::AID-JCC4&gt;3.0.CO;2-A</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#WeiserSS99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SwansonL95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Swanson:Eric.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lybrand:Terry_P=.html" />
<opus:title>PVM-AMBER: A Parallel Implementation of the AMBER Molecular Mechanics Package for Workstation Clusters.</opus:title>
<opus:pages>1131-1140</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#SwansonL95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SternbergKM94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sternberg:Ulrich.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Koch:Fran=Thomas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/M=ouml=llhoff:Margit.html" />
<opus:title>New Approach to the Semiempirical Calcualtion of Atomic Charges for Polypeptides and Large Molecular Systems.</opus:title>
<opus:pages>524-531</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#SternbergKM94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GlendeningW98">
<opus:last_modified_date>2006-01-13</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Glendening:Eric_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weinhold:Frank.html" />
<opus:title>Natural resonance theory: I. General formalism.</opus:title>
<opus:pages>593-609</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980430)19:6&lt;593::AID-JCC3&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#GlendeningW98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RydeON02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ryde:Ulf.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Olsen:Lars.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nilsson:Kristina.html" />
<opus:title>Quantum chemical geometry optimizations in proteins using crystallographic raw data.</opus:title>
<opus:pages>1058-1070</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10093</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#RydeON02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DennisV02">
<opus:last_modified_date>2004-11-16</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dennis:Sheldon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vajda:Sandor.html" />
<opus:title>Semiglobal simplex optimization and its application to determining the preferred solvation sites of proteins.</opus:title>
<opus:pages>319-334</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10026</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#DennisV02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Beuve-MeryRDB01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Beuve=Mery:Daniel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rahman:Mehdi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Ducarme:Philippe.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brasseur:Robert.html" />
<opus:title>Practical aspects of computational chemistry calculations through PC networks: the RAMSES-Beowulf implementation.</opus:title>
<opus:pages>172-177</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010130)22:2&lt;172::AID-JCC4&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Beuve-MeryRDB01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DaviesGHR02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Davies:E=_Keith.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Glick:Meir.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harrison:Karl_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Richards:W=_Graham.html" />
<opus:title>Pattern recognition and massively distributed computing.</opus:title>
<opus:pages>1544-1550</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10107</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#DaviesGHR02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LudenaKLVM99">
<opus:last_modified_date>2004-09-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lude=ntilde=a:Eduardo_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karasiev:Valentin_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/L=oacute=pez=Boada:R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Valderrama:E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maldonado:J=.html" />
<opus:title>Local-scaling transformation version of density functional theory: Application to atoms and diatomic molecules.</opus:title>
<opus:pages>155-183</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990115)20:1&lt;155::AID-JCC14&gt;3.0.CO;2-2</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#LudenaKLVM99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VicensL00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vicens:Marie_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/L=oacute=pez:Gustavo_E=.html" />
<opus:title>Density functional studies of cation-water complexes.</opus:title>
<opus:pages>63-68</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000115)21:1&lt;63::AID-JCC7&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#VicensL00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZhouPVKL96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhou:Zhongxiang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Payne:Philip.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vasquez:Max.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kuhn:Nat.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Levitt:Michael.html" />
<opus:title>Finite-difference solution of the Poisson-Boltzmann equation: Complete elimination of self-energy.</opus:title>
<opus:pages>1344-1351</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199608)17:11&lt;1344::AID-JCC7&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#ZhouPVKL96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SanchezAV97">
<opus:last_modified_date>2004-12-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/S=aacute=nchez:M=_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Espinosa:Manuel_Angel_Aguilar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Valle:Francisco_Javier_Olivares_del.html" />
<opus:title>Study of solvent effects by means of averaged solvent electrostatic potentials obtained from molecular dynamics data.</opus:title>
<opus:pages>313-322</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199702)18:3&lt;313::AID-JCC2&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#SanchezAV97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LangleyLA01a">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Langley:Charles_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lii:Jenn=Huei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:title>Molecular mechanics calculations on carbonyl compounds. II. Open-chain ketones.</opus:title>
<opus:pages>1426-1450</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1099</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#LangleyLA01a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LangleyLA01b">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Langley:Charles_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lii:Jenn=Huei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:title>Molecular mechanics calculations on carbonyl compounds. III. Cycloketones.</opus:title>
<opus:pages>1451-1475</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1100</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#LangleyLA01b</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LangleyLA01c">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Langley:Charles_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lii:Jenn=Huei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:title>Molecular mechanics calculations on carbonyl compounds. IV. Heats of formation.</opus:title>
<opus:pages>1476-1483</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1101</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#LangleyLA01c</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LutyWSHZM95">
<opus:last_modified_date>2006-01-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luty:Brock_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wasserman:Zelda_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stouten:Pieter_F=_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hodge:C=_Nicholas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zacharias:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McCammon:James_Andrew.html" />
<opus:title>A Molecular Mechanics/Grid Method for Evaluation of Ligand-Receptor Interactions.</opus:title>
<opus:pages>454-464</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#LutyWSHZM95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BaysalMN99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baysal:Canan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Meirovitch:Hagai.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Navon:I=_Michael.html" />
<opus:title>Performance of efficient minimization algorithms as applied to models of peptides and proteins.</opus:title>
<opus:pages>354-364</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199902)20:3&lt;354::AID-JCC7&gt;3.0.CO;2-8</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#BaysalMN99</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Qian=Shu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/L=uuml=:Rui=Hua.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xie:Yaoming.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/III:Henry_F=_Schaefer.html" />
<opus:title>Molecules for materials: Germanium hydride neutrals and anions. Molecular structures, electron affinities, and thermochemistry of GeHn/GeHn- (n = 0-4) and Ge2Hn/Ge2Hn- (n = 0-6).</opus:title>
<opus:pages>1642-1655</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10397</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#LiLXS02</rdfs:seeAlso>
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<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kikuchi:Takeshi.html" />
<opus:title>Inter-C atomic potentials derived from the statistics of average interresidue distances in proteins: Application to bovine pancreatic trypsin inhibitor.</opus:title>
<opus:pages>226-237</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960130)17:2&lt;226::AID-JCC9&gt;3.0.CO;2-Y</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#Kikuchi96</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kikuchi:Takeshi.html" />
<opus:title>Study of protein fluctuation with an effective inter-C atomic potential derived from average distances between amino acids in proteins.</opus:title>
<opus:pages>713-719</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199905)20:7&lt;713::AID-JCC6&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Kikuchi99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiMRR98">
<opus:last_modified_date>2004-11-15</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:G==S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maigret:Bernard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rinaldi:Daniel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruiz=L=oacute=pez:Manuel_F=.html" />
<opus:title>Influence of environment on proton-transfer mechanisms in model triads from theoretical calculations.</opus:title>
<opus:pages>1675-1688</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981130)19:15&lt;1675::AID-JCC1&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#LiMRR98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LipkowitzP95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lipkowitz:Kenny_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Peterson:Michael_A=.html" />
<opus:title>Evaluation of Moment Statistics for Molecular Modeling.</opus:title>
<opus:pages>285-295</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#LipkowitzP95</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cioslowski:Jerzy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stefanov:Boris_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Constans:Pere.html" />
<opus:title>Efficient algorithm for quantitative assessment of similarities among atoms in molecules.</opus:title>
<opus:pages>1352-1358</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199608)17:11&lt;1352::AID-JCC8&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#CioslowskiSC96</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kumar:Ganesh_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pan:Yongping.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smallwood:C=_Jay.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McAllister:Michael_A=.html" />
<opus:title>Low-barrier hydrogen bonds: Ab initio and DFT investigation.</opus:title>
<opus:pages>1345-1352</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199809)19:12&lt;1345::AID-JCC3&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#KumarPSM98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZivkovicRKZT95">
<opus:last_modified_date>2006-10-05</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zivkovic:Tomislav_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Randic:Milan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Klein:Douglas_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhu:Hongyao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Trinajstic:Nenad.html" />
<opus:title>Analytical Approach to Very Large Benzenoid Polymers.</opus:title>
<opus:pages>517-526</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#ZivkovicRKZT95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WilliamsHMTS96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Williams:Stephen_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harper:Warren.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mamantov:Gleb.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tortorelli:Louis_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shankle:George.html" />
<opus:title>Ab initio MO study of selected aluminum and boron chlorides and fluorides: Comparison with 11B NMR spectra of a tetrachloroborate melt.</opus:title>
<opus:pages>1696-1711</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19961130)17:15&lt;1696::AID-JCC2&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#WilliamsHMTS96</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reva:Boris_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sanner:Michel_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Olson:Arthur_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Finkelstein:Alexei_V=.html" />
<opus:title>Lattice modeling: Accuracy of energy calculations.</opus:title>
<opus:pages>1025-1032</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199606)17:8&lt;1025::AID-JCC11&gt;3.0.CO;2-D</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#RevaSOF96</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lop=eacute=z:Gustaveo_E=.html" />
<opus:title>&lt;sup&gt;+&lt;/sup&gt;&lt;sup&gt;+&lt;/sup&gt;&lt;sub&gt;2&lt;/sub&gt;O, HCI, and HF) Bimolecular Cations.</opus:title>
<opus:pages>768-776</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#Lopez95a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BrenemanR97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Breneman:Curt_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rhem:Marlon.html" />
<opus:title>QSPR analysis of HPLC column capacity factors for a set of high-energy materials using electronic van der waals surface property descriptors computed by transferable atom equivalent method.</opus:title>
<opus:pages>182-197</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970130)18:2&lt;182::AID-JCC4&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#BrenemanR97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HessBBF97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hess:Berk.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bekker:Henk.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berendsen:Herman_J=_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fraaije:Johannes_G=_E=_M=.html" />
<opus:title>LINCS: A linear constraint solver for molecular simulations.</opus:title>
<opus:pages>1463-1472</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199709)18:12&lt;1463::AID-JCC4&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#HessBBF97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZachariasS99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zacharias:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sklenar:Heinz.html" />
<opus:title>Harmonic modes as variables to approximately account for receptor flexibility in ligand-receptor docking simulations: Application to DNA minor groove ligand complex.</opus:title>
<opus:pages>287-300</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199902)20:3&lt;287::AID-JCC1&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#ZachariasS99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiTHY96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Xiang=Yuan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tian:An=Min.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/He:Fu=Cheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yan:Guo=Sen.html" />
<opus:title>Electron transfer integral between two zero-overlap states.</opus:title>
<opus:pages>1108-1111</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960715)17:9&lt;1108::AID-JCC3&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#LiTHY96</rdfs:seeAlso>
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<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Plimpton:Steve.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hendrickson:Bruce.html" />
<opus:title>A new parallel method for molecular dynamics simulation of macromolecular systems.</opus:title>
<opus:pages>326-337</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199602)17:3&lt;326::AID-JCC7&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#PlimptonH96</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cornell:Wendy_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Ha:Maria_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sun:Yax.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollman:Peter_A=.html" />
<opus:title>Application of a simple diagonal force field to the simulation of cyclopentane conformational dynamics.</opus:title>
<opus:pages>1541-1548</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199610)17:13&lt;1541::AID-JCC5&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#CornellHSK96</rdfs:seeAlso>
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<opus:last_modified_date>2005-04-19</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Clark:Kevin_P=.html" />
<opus:title>Flexible Ligand Docking without Parameter Adjustment across Four Ligand-Receptor Complexes.</opus:title>
<opus:pages>1210-1226</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#ClarkA95</rdfs:seeAlso>
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</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiWNS95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Y=_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wrinn:M=_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Newsam:J=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sears:M=_P=.html" />
<opus:title>Parallel Implementation of a Mesh-Based Density Functional Electronic Structure Code.</opus:title>
<opus:pages>226-234</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#LiWNS95</rdfs:seeAlso>
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<opus:title>Potential Energy Function for Cation-Peptide Interactions: An Ab Initio Study.</opus:title>
<opus:pages>690-704</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#RouxK95</rdfs:seeAlso>
</opus:Article>

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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carlacci:Louis.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Englander:S=_Walter.html" />
<opus:title>Loop problem in proteins: Developments on Monte Carlo simulated annealing approach.</opus:title>
<opus:pages>1002-1012</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199606)17:8&lt;1002::AID-JCC9&gt;3.0.CO;2-Y</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#CarlacciE96</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2004-09-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wu:Guang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jacobs:Sven.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lenstra:Albert_T=_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alsenoy:Christian_Van.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Geise:Herman_J=.html" />
<opus:title>2, 5-Dimethoxy-1, 4-bis[2-(2, 4-dimethoxyphenyl) ethenyl]benzene studied by quantum chemical calculations and single crystal X-ray diffraction.</opus:title>
<opus:pages>1820-1835</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199612)17:16&lt;1820::AID-JCC3&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#WuJLAG96</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Holst:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baker:Nathan_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Feng.html" />
<opus:title>Adaptive multilevel finite element solution of the Poisson-Boltzmann equation I. Algorithms and examples.</opus:title>
<opus:pages>1319-1342</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20001130)21:15&lt;1319::AID-JCC1&gt;3.0.CO;2-8</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#HolstBW00</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Holst:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baker:Nathan_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Feng.html" />
<opus:title>ErratumAdaptive multilevel finite element solution of the Poisson-Boltzmann equation I. Algorithms and examples.</opus:title>
<opus:pages>475</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200103)22:4&lt;475::AID-JCC1018&gt;3.0.CO;2-7</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#HolstBW01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ForsterM94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Forster:Mark_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mulloy:Barbara.html" />
<opus:title>Rationalizing Nuclear Overhauser Efect Data for Compounds Adopting Multiple-Solution Conformations.</opus:title>
<opus:pages>155-161</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#ForsterM94</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stone:Antony_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tong:Chong_Sze.html" />
<opus:title>Anisotropy of Atom-Atom Repulsions.</opus:title>
<opus:pages>1377-1392</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#StoneT94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MoralesGAR00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Morales:Luis_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gardu=ntilde=o=Ju=aacute=rez:Ram=oacute=n.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Aguilar=Alvarado:J=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Riveros=Castro:F=_J=.html" />
<opus:title>A parallel tabu search for conformational energy optimization of oligopeptides.</opus:title>
<opus:pages>147-156</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000130)21:2&lt;147::AID-JCC6&gt;3.0.CO;2-6</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#MoralesGAR00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SkowronekRKSRP00">
<opus:last_modified_date>2004-02-20</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Skowronek:Marek.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roterman:Irena.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Konieczny:Leszek.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stopa:Barbara.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rybarska:Janina.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Piekarska:Barbara.html" />
<opus:title>Why do Congo Red, Evans Blue, and Trypan Blue differ in their complexation properties?</opus:title>
<opus:pages>656-667</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200006)21:8&lt;656::AID-JCC5&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#SkowronekRKSRP00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BarthKLS95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barth:Eric.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kuczera:Krzysztof.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leimkuhler:Benedict.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Skeel:Robert_D=.html" />
<opus:title>Algorithms for Constrained Molecular Dynamics.</opus:title>
<opus:pages>1192-1209</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#BarthKLS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RaptisNDP98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Raptis:S=_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nasiou:S=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Demetropoulos:I=_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Papadopoulos:M=_G=.html" />
<opus:title>Static and frequency dependent polarizabilities and hyperpolarizabilities of H2Sn.</opus:title>
<opus:pages>1698-1715</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981130)19:15&lt;1698::AID-JCC3&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#RaptisNDP98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HertwigK95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hertwig:Roland_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Koch:Wolfram.html" />
<opus:title>&lt;sub&gt;2&lt;/sub&gt;&lt;sub&gt;2&lt;/sub&gt;.</opus:title>
<opus:pages>576-585</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#HertwigK95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SalomonA99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Salomon:Yair.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Avnir:David.html" />
<opus:title>Continuous symmetry measures: Finding the closest C2-symmetric object or closest reflection-symmetric object using unit quaternions.</opus:title>
<opus:pages>772-780</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199906)20:8&lt;772::AID-JCC3&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#SalomonA99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BartelsK97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bartels:Christian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karplus:Martin.html" />
<opus:title>Multidimensional adaptive umbrella sampling: Applications to main chain and side chain peptide conformations.</opus:title>
<opus:pages>1450-1462</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199709)18:12&lt;1450::AID-JCC3&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#BartelsK97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Eijck01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eijck:Bouke_P=_van.html" />
<opus:title>Ab initio crystal structure predictions for flexible hydrogen-bonded molecules. Part III. Effect of lattice vibrations.</opus:title>
<opus:pages>816-826</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1047</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Eijck01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Eijck02">
<opus:last_modified_date>2004-10-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eijck:Bouke_P=_van.html" />
<opus:title>Crystal structure predictions using five space groups with two independent molecules. The case of small organic acids.</opus:title>
<opus:pages>456-462</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10042</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Eijck02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CsonkaH94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Csonka:G=aacute=bor_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hencsei:Pal.html" />
<opus:title>Ab Initio Molecular Orbital Study of 1-Fluorosilatrane.</opus:title>
<opus:pages>385-394</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#CsonkaH94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CsonkaH96">
<opus:last_modified_date>2003-07-22</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Csonka:G=aacute=bor_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hencsei:Pal.html" />
<opus:title>The structure of 1-chlorosilatrane: An ab initio molecular orbital and a density functional theory study.</opus:title>
<opus:pages>767-780</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199605)17:7&lt;767::AID-JCC2&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#CsonkaH96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AgrafiotisRL01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Agrafiotis:Dimitris_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rassokhin:Dmitrii_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lobanov:Victor_S=.html" />
<opus:title>Multidimensional scaling and visualization of large molecular similarity tables.</opus:title>
<opus:pages>488-500</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010415)22:5&lt;488::AID-JCC1020&gt;3.0.CO;2-4</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#AgrafiotisRL01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KroemerHL96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kroemer:Romano_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hecht:Peter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liedl:Klaus_R=.html" />
<opus:title>Different electrostatic descriptors in comparative molecular field analysis: A comparison of molecular electrostatic and coulomb potentials.</opus:title>
<opus:pages>1296-1308</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199608)17:11&lt;1296::AID-JCC2&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#KroemerHL96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiangBB94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liang:Guyan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bowen:J=_Phillip.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bentley:James_A=.html" />
<opus:title>Molecular Mechanics (MM3) Parameterization of Hydroxylamine and Methyl Derivatives.</opus:title>
<opus:pages>866-874</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#LiangBB94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiangFB96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liang:Guyan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fox:Peter_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bowen:J=_Phillip.html" />
<opus:title>Parameter analysis and refinement toolkit system and its application in MM3 parameterization for phosphine and its derivatives.</opus:title>
<opus:pages>940-953</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199606)17:8&lt;940::AID-JCC3&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#LiangFB96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ClareTJCH94">
<opus:last_modified_date>2006-10-05</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Clare:Brian_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Talukder:G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jennings:Philip_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cornish:John_C=_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hefter:Glenn_T=.html" />
<opus:title>Effect of Charge on Bond Strength in Hydrogenated Amorphous Silicon.</opus:title>
<opus:pages>644-652</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#ClareTJCH94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/El-NahasHE98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/El=Nahas:Ahmed_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hammam:Essam.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Ebeid:El=Zeiny_M=.html" />
<opus:title>Quantum chemical studies on structures and spectra of 2, 5-distyrylpyrazine (DSP) laser dye.</opus:title>
<opus:pages>585-592</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980430)19:6&lt;585::AID-JCC2&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#El-NahasHE98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DuanH99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Duan:Zhong=Hui.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Howard:Louis_N=.html" />
<opus:title>Loop entanglement of semicrystalline polyethylene in amorphous region: Diamond lattice approach.</opus:title>
<opus:pages>348-353</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199902)20:3&lt;348::AID-JCC6&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#DuanH99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DuanK01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Duan:Zhong=Hui.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Krasny:Robert.html" />
<opus:title>An adaptive treecode for computing nonbonded potential energy in classical molecular systems.</opus:title>
<opus:pages>184-195</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010130)22:2&lt;184::AID-JCC6&gt;3.0.CO;2-7</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#DuanK01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/QianSS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/q/Qian:Xiaoliang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Strahs:Daniel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schlick:Tamar.html" />
<opus:title>A new program for optimizing periodic boundary models of solvated biomolecules (PBCAID).</opus:title>
<opus:pages>1843-1850</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1135</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#QianSS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DomotorBS96">
<opus:last_modified_date>2003-11-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/D=ouml=m=ouml=t=ouml=r:Gyula.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/B=aacute=n:Mikl=oacute=s_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stach=oacute=:Laszlo_L=.html" />
<opus:title>Theoretical and practical aspects of the convergence properties of the dynamically defined reaction path method.</opus:title>
<opus:pages>289-297</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199602)17:3&lt;289::AID-JCC3&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#DomotorBS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiaoS02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liao:Meng=Sheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheiner:Steve.html" />
<opus:title>Comparative study of metal-porphyrins, -porphyrazines, and -phthalocyanines.</opus:title>
<opus:pages>1391-1403</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10142</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#LiaoS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MoralesN95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Morales:Juan_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nuevo:Mar=iacute=a_J=.html" />
<opus:title>Path Integral Molecular Dynamics Methods: Application to Neon.</opus:title>
<opus:pages>105-112</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#MoralesN95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TsodikovRS02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tsodikov:Oleg_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jr=:M=_Thomas_Record.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sergeev:Yuri_V=.html" />
<opus:title>Novel computer program for fast exact calculation of accessible and molecular surface areas and average surface curvature.</opus:title>
<opus:pages>600-609</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10061</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#TsodikovRS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ReilingSB96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reiling:Stephan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schlenkrich:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brickmann:J=uuml=rgen.html" />
<opus:title>Force field parameters for carbohydrates.</opus:title>
<opus:pages>450-468</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199603)17:4&lt;450::AID-JCC6&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#ReilingSB96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HeffelfingerL96">
<opus:last_modified_date>2003-11-20</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Heffelfinger:Grant.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lewitt:Martin_E=.html" />
<opus:title>A comparison between two massively parallel algorithms for Monte Carlo computer simulation: An investigation in the grand canonical ensemble.</opus:title>
<opus:pages>250-265</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960130)17:2&lt;250::AID-JCC11&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#HeffelfingerL96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DykstraV97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dykstra:Clifford_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Voorhis:Troy_A=_Van.html" />
<opus:title>Quantum monte carlo vibrational dynamics in a property-based interaction potential scheme for weakly bound clusters.</opus:title>
<opus:pages>702-711</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970415)18:5&lt;702::AID-JCC10&gt;3.0.CO;2-E</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#DykstraV97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Biegler-Konig00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Biegler=K=ouml=nig:Friedrich.html" />
<opus:title>Calculation of atomic integration data.</opus:title>
<opus:pages>1040-1048</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200009)21:12&lt;1040::AID-JCC2&gt;3.0.CO;2-8</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#Biegler-Konig00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PepperSSGJQ95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pepper:Melanie_J=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shavitt:Isaiah.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schleyer:Paul_von_Ragu=eacute=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Glukhovtsev:Mikhail_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Janoschek:Rudolf.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/q/Quack:Martin.html" />
<opus:title>Is the Stereomutation of Methane Possible?</opus:title>
<opus:pages>207-225</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#PepperSSGJQ95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MunozBHOL02">
<opus:last_modified_date>2004-09-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mu=ntilde=oz:J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barril:Xavier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hern=aacute=ndez:Bego=ntilde=a.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Orozco:Modesto.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luque:F=_Javier.html" />
<opus:title>Hydrophobic similarity between molecules: A MST-based hydrophobic similarity index.</opus:title>
<opus:pages>554-563</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10055</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#MunozBHOL02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KonyDSG02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kony:D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Damm:W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stoll:S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gunsteren:W=_F=_Van.html" />
<opus:title>An improved OPLS-AA force field for carbohydrates.</opus:title>
<opus:pages>1416-1429</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10139</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#KonyDSG02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AndricioaeiS98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Andricioaei:Ioan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Straub:John_E=.html" />
<opus:title>Global optimization using bad derivatives: Derivative-free method for molecular energy minimization.</opus:title>
<opus:pages>1445-1455</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199810)19:13&lt;1445::AID-JCC2&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#AndricioaeiS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Alsberg95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alsberg:Bj=oslash=rn_K=.html" />
<opus:title>Fast, Fuzzy C-Means Clustering of Data Sets with Many Features.</opus:title>
<opus:pages>414-421</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#Alsberg95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiiMA99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lii:Jenn=Huei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Ma:Buyong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:title>Importance of selecting proper basis set in quantum mechanical studies of potential energy surfaces of carbohydrates.</opus:title>
<opus:pages>1593-1603</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991130)20:15&lt;1593::AID-JCC1&gt;3.0.CO;2-A</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#LiiMA99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/OhtsukaON01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ohtsuka:Yuhki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ohkawa:Kazufumi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakatsuji:Hiroshi.html" />
<opus:title>Electron transfer in the c-type cytochrome subunit of the photosynthetic reaction center of Rhodopseudomonas viridis: ab initio theoretical study.</opus:title>
<opus:pages>521-527</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010415)22:5&lt;521::AID-JCC1023&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#OhtsukaON01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HernandezS99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hern=aacute=ndez:Norge_Cruz.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sanz:Javier_Fdez=.html" />
<opus:title>Ab initio compact group model potentials for describing environment effects in cluster calculations.</opus:title>
<opus:pages>1145-1152</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199908)20:11&lt;1145::AID-JCC5&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#HernandezS99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KauppRMASM02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kaupp:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reviakine:Roman.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Malkina:Olga_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Arbuznikov:Alexei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schimmelpfennig:Bernd.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Malkin:Vladimir_G=.html" />
<opus:title>Calculation of electronic g-tensors for transition metal complexes using hybrid density functionals and atomic meanfield spin-orbit operators.</opus:title>
<opus:pages>794-803</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10049</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#KauppRMASM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LinLW02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lin:Jin=Qiu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luo:Shi=Wei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wu:Yun=Dong.html" />
<opus:title>Theoretical study of sheets formed by -peptides.</opus:title>
<opus:pages>1551-1558</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10136</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#LinLW02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Visscher02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Visscher:Lucas.html" />
<opus:title>The Dirac equation in quantum chemistry: Strategies to overcome the current computational problems.</opus:title>
<opus:pages>759-766</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10036</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Visscher02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SchreckenbachHM99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schreckenbach:Georg.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hay:P=_Jeffrey.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Martin:Richard_L=.html" />
<opus:title>Density functional calculations on actinide compounds: Survey of recent progress and application to [UO2X4]2- (X=F, Cl, OH) and AnF6 (An=U, Np, Pu).</opus:title>
<opus:pages>70-90</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990115)20:1&lt;70::AID-JCC9&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#SchreckenbachHM99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PertsinHG94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pertsin:Alexander_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hahn:Jutta.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grossmann:Hans_P=.html" />
<opus:title>Incorporation of Bond-Length Constraints in Monte Carlo Simulations of Cyclic and Linear Molecules: Conformational Sampling for Cyclic Alkanes as Test Systems.</opus:title>
<opus:pages>1121-1126</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#PertsinHG94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GlaserC98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Glaser:Rainer.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Grace_Shiahuy.html" />
<opus:title>Asymmetrization effects on structures and populations of the ground state of dipolar donor-acceptor-substituted molecular organic NLO materials.</opus:title>
<opus:pages>1130-1140</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980730)19:10&lt;1130::AID-JCC2&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#GlaserC98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ShenQ95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shen:Jian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/q/Quiocho:Florante_A=.html" />
<opus:title>Calculation of Binding Energy Differences for Receptor-Ligand Systems Using the Poisson-Boltzmann Method.</opus:title>
<opus:pages>445-448</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#ShenQ95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ShenW96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shen:Jian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wendoloski:John.html" />
<opus:title>Electrostatic binding energy calculation using the finite difference solution to the linearized Poisson-Boltzmann equation: Assessment of its accuracy.</opus:title>
<opus:pages>350-357</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199602)17:3&lt;350::AID-JCC9&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#ShenW96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SawyerSM96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sawyer:Alesia.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sullivan:Erica.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mariam:Yitbarek_H=.html" />
<opus:title>A semiempirical computational study of electron transfer reactivity of one- vs. two-ring model systems for anthracycline pharmacophores. I. A rationale for mode of action.</opus:title>
<opus:pages>204-225</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960130)17:2&lt;204::AID-JCC8&gt;3.0.CO;2-#</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#SawyerSM96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SchwietersR94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schwieters:Charles_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rabitz:Herschel.html" />
<opus:title>Display of the Flow of Energy in Molecules.</opus:title>
<opus:pages>80-89</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#SchwietersR94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ShimB98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shim:Joong=Youn.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bowen:J=_Phillip.html" />
<opus:title>Molecular mechanics studies of acyl halides: I. Molecular structures and conformational analysis.</opus:title>
<opus:pages>1370-1386</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199809)19:12&lt;1370::AID-JCC5&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#ShimB98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiuZZ98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Ruifeng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhou:Xuefeng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhai:Lei.html" />
<opus:title>Theoretical investigation of unimolecular decomposition channels of furan4.</opus:title>
<opus:pages>240-249</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980130)19:2&lt;240::AID-JCC17&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#LiuZZ98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RousseauM00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rousseau:Emmanuelle.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mathieu:Didier.html" />
<opus:title>Atom equivalents for converting DFT energies calculated on molecular mechanics structures to formation enthalpies.</opus:title>
<opus:pages>367-379</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000415)21:5&lt;367::AID-JCC3&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#RousseauM00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MenendezSSS95">
<opus:last_modified_date>2006-01-13</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rodr=iacute=guez:Mar=iacute=a_Isabel_Men=eacute=ndez.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Su=aacute=rez:Dimas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sordo:Jos=eacute=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sordo:Tom=aacute=s_Luis.html" />
<opus:title>Theoretical Study of the Gas-Phase Addition of HF and HCI to Ethylene: Analysis of the Catalytic Action of Dimeric Halides.</opus:title>
<opus:pages>659-666</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#MenendezSSS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VisscherESJO99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Visscher:Lucas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Enevoldsen:Thomas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Saue:Trond.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jensen:Hans_Jorgen_Aagard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oddershede:Jens.html" />
<opus:title>Full four-component relativistic calculations of NMR shielding and indirect spin-spin coupling tensors in hydrogen halides.</opus:title>
<opus:pages>1262-1273</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199909)20:12&lt;1262::AID-JCC6&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#VisscherESJO99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Dillen95a">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dillen:Jan_L=_M=.html" />
<opus:title>An Empirical Force Field II. Crystalline Alkanes.</opus:title>
<opus:pages>610-619</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#Dillen95a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DillerV99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Diller:David_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Verlinde:Christophe_L=_M=_J=.html" />
<opus:title>A critical evaluation of several global optimization algorithms for the purpose of molecular docking.</opus:title>
<opus:pages>1740-1751</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199912)20:16&lt;1740::AID-JCC6&gt;3.0.CO;2-A</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#DillerV99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AlhambraLO94">
<opus:last_modified_date>2004-11-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alhambra:Crist=oacute=bal.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luque:Francisco_Javier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Orozco:Modesto.html" />
<opus:title>Comparison of NDDO and Quasi-Ab Initio Approaches to Compute Semiempirical Molecular Electrostatic Potentials.</opus:title>
<opus:pages>12-22</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#AlhambraLO94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BobrowskiLOJO02">
<opus:last_modified_date>2004-10-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bobrowski:Maciej.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liwo:Adam.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oldziej:Stanislaw.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jeziorek:Danuta.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ossowski:Tadeusz.html" />
<opus:title>Ab initio study of the mechanism of singlet-dioxygen addition to hydroxyaromatic compounds: Negative evidence for the involvement of peroxa and endoperoxide intermediates.</opus:title>
<opus:pages>1076-1089</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10102</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#BobrowskiLOJO02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KovalenkoTH99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kovalenko:Andriy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Ten=no:Seiichiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirata:Fumio.html" />
<opus:title>Solution of three-dimensional reference interaction site model and hypernetted chain equations for simple point charge water by modified method of direct inversion in iterative subspace.</opus:title>
<opus:pages>928-936</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990715)20:9&lt;928::AID-JCC4&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#KovalenkoTH99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Baldwin98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baldwin:John_E=.html" />
<opus:title>Thermal isomerizations of vinylcyclopropanes to cyclopentenes.</opus:title>
<opus:pages>222-231</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980130)19:2&lt;222::AID-JCC15&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#Baldwin98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Williams01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Williams:Donald_E=.html" />
<opus:title>Improved intermolecular force field for crystalline oxohydrocarbons including OHO hydrogen bonding.</opus:title>
<opus:pages>1-20</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010115)22:1&lt;1::AID-JCC2&gt;3.0.CO;2-6</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Williams01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Williams94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Williams:Donald_E=.html" />
<opus:title>Failure of Net Atomic Charge Models to Represent the van der Waals Envelope Electric Potential of n-Alkanes.</opus:title>
<opus:pages>719-732</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Williams94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VeldeBBGGSZ01">
<opus:last_modified_date>2004-09-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Velde:G=_te.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bickelhaupt:F=_Matthias.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baerends:Evert_Jan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Guerra:C=eacute=lia_Fonseca.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gisbergen:Stan_J=_A=_van.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Snijders:Jaap_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Ziegler:T=.html" />
<opus:title>Chemistry with ADF.</opus:title>
<opus:pages>931-967</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1056</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#VeldeBBGGSZ01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/umaTS98">
<opus:last_modified_date>2004-09-20</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cuma:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thompson:Clifton.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheiner:Steve.html" />
<opus:title>Effect of nonproximate atomic substitution on excited state intramolecular proton transfer.</opus:title>
<opus:pages>129-138</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980130)19:2&lt;129::AID-JCC5&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#umaTS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CortisF97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cortis:Christian_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Friesner:Richard_A=.html" />
<opus:title>An automatic three-dimensional finite element mesh generation system for the Poisson-Boltzmann equation.</opus:title>
<opus:pages>1570-1590</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199710)18:13&lt;1570::AID-JCC2&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#CortisF97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LoefflerSWLR01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Loeffler:Hannes_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sotriffer:Christoph_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Winger:Rudolf_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liedl:Klaus_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rode:Bernd_M=.html" />
<opus:title>Calculation of sequence-dependent free energies of hydration of dipeptides formed by alanine and glycine.</opus:title>
<opus:pages>846-860</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1050</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#LoefflerSWLR01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GorseP94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gorse:Alain_Dominique.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pesquer:Michel.html" />
<opus:title>The Use of Fraga&apos;s Potential with AMI Atomic Point Charges in the Evaluation of Spectral Shifts: Application to TICT Molecules.</opus:title>
<opus:pages>1139-1150</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#GorseP94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiotardHLCT95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liotard:Daniel_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hawkins:Gregory_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lynch:Gillian_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cramer:Christopher_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Truhlar:Donald_G=.html" />
<opus:title>Improved Methods for Semiempirical Solvation Models.</opus:title>
<opus:pages>422-440</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#LiotardHLCT95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Siegbahn01">
<opus:last_modified_date>2003-09-04</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Siegbahn:Per_E=_M=.html" />
<opus:title>Modeling aspects of mechanisms for reactions catalyzed by metalloenzymes.</opus:title>
<opus:pages>1634-1645</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1119</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Siegbahn01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Siegbahn96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Siegbahn:Per_E=_M=.html" />
<opus:title>Models for the description of the H3O+ and OH- ions in water.</opus:title>
<opus:pages>1099-1107</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960715)17:9&lt;1099::AID-JCC2&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#Siegbahn96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HernandezLO99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luque:F=_Javier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Orozco:Modesto.html" />
<opus:title>Parametrization of the GMIPp for the study of stacking interactions.</opus:title>
<opus:pages>937-946</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990715)20:9&lt;937::AID-JCC5&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#HernandezLO99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ShuklaMKM00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shukla:Manish_Kumar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mishra:S=_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kumar:Anil.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mishra:P=_C=.html" />
<opus:title>An ab initio study of excited states of guanine in the gas phase and aqueous media: Electronic transitions and mechanism of spectral oscillations.</opus:title>
<opus:pages>826-846</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20000730)21:10&lt;826::AID-JCC2&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#ShuklaMKM00</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KlepeisF02">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Floudas:Christodoulos_A=.html" />
<opus:title>Ab initio prediction of helical segments in polypeptides.</opus:title>
<opus:pages>245-266</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10002</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#KlepeisF02</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KlepeisF99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Floudas:Christodoulos_A=.html" />
<opus:title>Comparative study of global minimum energy conformations of hydrated peptides.</opus:title>
<opus:pages>636-654</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990430)20:6&lt;636::AID-JCC10&gt;3.0.CO;2-D</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#KlepeisF99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WysokiskiM01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wysokiski:Rafa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Michalska:Danuta.html" />
<opus:title>The performance of different density functional methods in the calculation of molecular structures and vibrational spectra of platinum(II) antitumor drugs: cisplatin and carboplatin.</opus:title>
<opus:pages>901-912</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1053</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#WysokiskiM01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NagyBS94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nagy:Peter_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bitar:Joseph_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:Douglas_A=.html" />
<opus:title>Comparison of the Molecular Mechanics+Generalized Born/Surface Area and the Ab Initio+Monte Carlo Simulation Methods in Estimating Conformational Equilibria in Aqueous Solution.</opus:title>
<opus:pages>1228-1240</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#NagyBS94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/UmanskiiNMSFK01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Umanskii:Stanislav_Ya=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Novoselov:Konstantin_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Minushev:Airat_Kh=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Siodmiak:Magdalena.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Frenking:Gernot.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Korkin:Anatoli_A=.html" />
<opus:title>Thermodynamics and kinetics of initial gas phase reactions in chemical vapor deposition of titanium nitride. Theoretical study of TiCl4 ammonolysis.</opus:title>
<opus:pages>1366-1376</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1095</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#UmanskiiNMSFK01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DudekRP98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dudek:Michael_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ramnarayan:K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Ponder:Jay_W=.html" />
<opus:title>Protein structure prediction using a combination of sequence homology and global energy minimization: II. Energy functions.</opus:title>
<opus:pages>548-573</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980415)19:5&lt;548::AID-JCC7&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#DudekRP98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WitterPS02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Witter:Raiker.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Prie:Wolfram.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sternberg:Ulrich.html" />
<opus:title>Chemical shift driven geometry optimization.</opus:title>
<opus:pages>298-305</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10012</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#WitterPS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CieplakCBK95">
<opus:last_modified_date>2006-09-29</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cieplak:Piotr.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cornell:Wendy_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bayly:Christopher_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollman:Peter_A=.html" />
<opus:title>Application of the Multimolecule and Multiconformational RESP Methodology to Biopolymers: Charge Derication for DNA, RNA, and Proteins.</opus:title>
<opus:pages>1357-1376</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#CieplakCBK95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BaroneA94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barone:Vincenzo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Adamo:Carlo.html" />
<opus:title>Modulation of Intramolecular Proton Transfer by Electronic Excitation and Environment: 2-Pyridone as a Case Study.</opus:title>
<opus:pages>395-404</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#BaroneA94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MizanSZ96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mizan:Tahmid_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Savage:Phillip_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Ziff:Robert_M=.html" />
<opus:title>Comparison of rigid and flexible simple point charge water models at supercritical conditions.</opus:title>
<opus:pages>1757-1770</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19961130)17:15&lt;1757::AID-JCC6&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#MizanSZ96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/YonedaKU96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yoneda:Shigetaka.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kitazawa:Masako.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Umeyama:Hideaki.html" />
<opus:title>Molecular dynamics simulation of a rhinovirus capsid under rotational symmetry boundary conditions.</opus:title>
<opus:pages>191-203</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960130)17:2&lt;191::AID-JCC7&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#YonedaKU96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RassolovRPRC01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rassolov:Vitaly_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ratner:Mark_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pople:John_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Redfern:Paul_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Curtiss:Larry_A=.html" />
<opus:title>6-31G* basis set for third-row atoms.</opus:title>
<opus:pages>976-984</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1058</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#RassolovRPRC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GolebiowskiLR02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Golebiowski:J=eacute=r=ocirc=me.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lamare:V=eacute=ronique.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruiz=L=oacute=pez:Manuel_F=.html" />
<opus:title>Rb+/Cs+ selectivity of benzo and tribenzo derivatives of the 21C7 crown ether. A density functional study.</opus:title>
<opus:pages>724-731</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1173</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#GolebiowskiLR02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CombaOR99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Comba:Peter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Okon:Norbert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Remenyi:Rainer.html" />
<opus:title>Computation of cavity shapes, sizes, and plasticities.</opus:title>
<opus:pages>781-785</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199906)20:8&lt;781::AID-JCC4&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#CombaOR99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RuizCAA99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruiz:Eliseo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cano:Joan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alvarez:Santiago.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alemany:Pere.html" />
<opus:title>Broken symmetry approach to calculation of exchange coupling constants for homobinuclear and heterobinuclear transition metal complexes.</opus:title>
<opus:pages>1391-1400</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199910)20:13&lt;1391::AID-JCC6&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#RuizCAA99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VaaraRV99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vaara:Juha.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruud:Kenneth.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vahtras:Olav.html" />
<opus:title>Correlated response calculations of the spin-orbit interaction contribution to nuclear spin-spin couplings.</opus:title>
<opus:pages>1314-1327</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199909)20:12&lt;1314::AID-JCC12&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#VaaraRV99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZhouL94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhou:Taihin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Aimin.html" />
<opus:title>Study of Localized Molecular Orbitals Using Group Theory Methods and Its Approach to the Many-Electron Correlation Problem. IV. The Symmetry-Adaptation of Many-Center Integrals and Hamiltonian Matrix Elements in MCSCF Calculations.</opus:title>
<opus:pages>858-865</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#ZhouL94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZhouM99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhou:Taijin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mo:Yirong.html" />
<opus:title>General method for symmetry orbitals and tensors in electronic structure calculations.</opus:title>
<opus:pages>305-321</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199902)20:3&lt;305::AID-JCC3&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#ZhouM99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ReddyE99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reddy:M=_Rami.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Erion:Mark_D=.html" />
<opus:title>Calculation of relative solvation free energy differences by thermodynamic perturbation method: Dependence of free energy results on simulation length.</opus:title>
<opus:pages>1018-1027</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990730)20:10&lt;1018::AID-JCC4&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#ReddyE99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BorodinSJ01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Borodin:Oleg.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:Grant_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jaffe:Richard_L=.html" />
<opus:title>Ab initio quantum chemistry and molecular dynamics simulations studies of LiPF6/poly(ethylene oxide) interactions.</opus:title>
<opus:pages>641-654</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1033</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#BorodinSJ01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PaizsSCDS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Paizs:B=eacute=la.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Salvador:Pedro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cs=aacute=sz=aacute=r:Attila_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Duran:Miquel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Suhai:S=aacute=ndor.html" />
<opus:title>Intermolecular bond lengths: extrapolation to the basis set limit on uncorrected and BSSE-corrected potential energy hypersurfaces.</opus:title>
<opus:pages>196-207</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010130)22:2&lt;196::AID-JCC7&gt;3.0.CO;2-Y</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#PaizsSCDS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Nakamura02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakamura:Hideaki.html" />
<opus:title>Monte Carlo sampling algorithm for searching a scale-transformed energy space of polypeptides.</opus:title>
<opus:pages>511-516</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10034</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Nakamura02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BharadwajWSHN95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bharadwaj:Ranganathan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Windemuth:Andresas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sriharan:S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Honig:Barry.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nocholls:Antony.html" />
<opus:title>A Fast Multipole Boundary Element Method for Molecular Electrostatics: An Optimal Approach for Large Systems.</opus:title>
<opus:pages>898-913</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#BharadwajWSHN95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FusterSS00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fuster:Franck.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sevin:Alain.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Silvi:Bernard.html" />
<opus:title>Determination of substitutional sites in heterocycles from the topological analysis of the electron localization function (ELF).</opus:title>
<opus:pages>509-514</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200005)21:7&lt;509::AID-JCC1&gt;3.0.CO;2-Y</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#FusterSS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Dyall02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dyall:Kenneth_G=.html" />
<opus:title>A systematic sequence of relativistic approximations.</opus:title>
<opus:pages>786-793</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10048</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Dyall02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Dyall98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dyall:Kenneth_G=.html" />
<opus:title>Review of Relativistic Effects in Chemistry Part A: Theory and Techniques.</opus:title>
<opus:pages>1553-1554</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199810)19:13&lt;1553::AID-JCC11&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#Dyall98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SunadaG95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sunada:Shinji.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Go:Nobuhiro.html" />
<opus:title>Small-Amplitude Protein Conformational Dynamics: Second Order Analytic Relation between Cartesian Coordinates and Dijedral Angles.</opus:title>
<opus:pages>328-336</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#SunadaG95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NakanoUH02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakano:Haruyuki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Uchiyama:Ryuma.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirao:Kimihiko.html" />
<opus:title>Quasi-degenerate perturbation theory with general multiconfiguration self-consistent field reference functions.</opus:title>
<opus:pages>1166-1175</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10050</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#NakanoUH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AxelsenL98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Axelsen:Paul_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Daohui.html" />
<opus:title>Improved convergence in dual-topology free energy calculations through use of harmonic restraints.</opus:title>
<opus:pages>1278-1283</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199808)19:11&lt;1278::AID-JCC7&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#AxelsenL98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RioLMSR98">
<opus:last_modified_date>2005-11-02</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/R=iacute=o:E=_Del.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/L=oacute=pez:Ram=oacute=n.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rodr=iacute=guez:Mar=iacute=a_Isabel_Men=eacute=ndez.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sordo:Tom=aacute=s_Luis.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruiz=L=oacute=pez:Manuel_F=.html" />
<opus:title>Theoretical study of ester enolate-imine condensation route to -lactams.</opus:title>
<opus:pages>1826-1833</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199812)19:16&lt;1826::AID-JCC4&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#RioLMSR98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WuDXLHS02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wu:Yang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Ding:Yi=Hong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xiao:Jing=Fa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Ze=Sheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Huang:Xu=Ri.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sun:Chia=Chung.html" />
<opus:title>Direct ab initio dynamics study on the rate constants and kinetic isotope effect for the reactions of H atoms with GeDn(CH3)4-n (n = 1-4).</opus:title>
<opus:pages>1366-1374</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10137</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#WuDXLHS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TotrovA94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Totrov:Maxim.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Abagyan:Ruben.html" />
<opus:title>Efficient Parallelization of the Energy, Surface, and Dericative Calculations for Internal Coordinate Mechanics.</opus:title>
<opus:pages>1105-1112</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#TotrovA94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PitarchPSTR99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pitarch:Jes=uacute=s.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pascual=Ahuir:Juan=Luis.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Silla:Estanislao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tu=ntilde==oacute=n:I=ntilde=aki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruiz=L=oacute=pez:Manuel_F=.html" />
<opus:title>Modeling -lactam interactions in aqueous solution through combined quantum mechanics-molecular mechanics methods.</opus:title>
<opus:pages>1401-1411</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199910)20:13&lt;1401::AID-JCC7&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#PitarchPSTR99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ReijmersWB99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reijmers:T=_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wehrens:Ron.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Buydens:Lutgarde_M=_C=.html" />
<opus:title>Quality criteria of genetic algorithms for construction of phylogenetic trees.</opus:title>
<opus:pages>867-876</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199906)20:8&lt;867::AID-JCC11&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#ReijmersWB99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AllingerCKWA96">
<opus:last_modified_date>2005-07-06</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Kuo=Hsiang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Katzenellenbogen:J=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wilson:Scott_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Anstead:Gregory_M=.html" />
<opus:title>Hyperconjugative effects on carbon - Carbon bond lengths in molecular mechanics (MM4).</opus:title>
<opus:pages>747-755</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5-6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199604)17:5/6&lt;747::AID-JCC10&gt;3.0.CO;2-5</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#AllingerCKWA96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MarkN02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mark:Pekka.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nilsson:Lennart.html" />
<opus:title>Structure and dynamics of liquid water with different long-range interaction truncation and temperature control methods in molecular dynamics simulations.</opus:title>
<opus:pages>1211-1219</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10117</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#MarkN02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Limaye97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Limaye:Ajay_C=.html" />
<opus:title>Parallel MP2-energy evaluation: Simulated shared memory approach on distributed memory parallel machines.</opus:title>
<opus:pages>552-561</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199703)18:4&lt;552::AID-JCC8&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Limaye97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KohoutS97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kohout:Miroslav.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Savin:Andreas.html" />
<opus:title>Influence of core-valence separation of electron localization function.</opus:title>
<opus:pages>1431-1439</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199709)18:12&lt;1431::AID-JCC1&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#KohoutS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RussoTGJ98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Russo:Nino.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Toscano:Marirosa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grand:Andr=eacute=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jolibois:Franck.html" />
<opus:title>Protonation of thymine, cytosine, adenine, and guanine DNA nucleic acid bases: Theoretical investigation into the framework of density functional theory.</opus:title>
<opus:pages>989-1000</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980715)19:9&lt;989::AID-JCC1&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#RussoTGJ98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/EwigBDHHLLMPSTYNH01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Ewig:Carl_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berry:Rajiv.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dinur:Uri.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hill:J=ouml=rg=R=uuml=diger.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hwang:Ming=Jing.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Haiying.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liang:Chris.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maple:Jon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Peng:Zhengwei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stockfisch:Thomas_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thacher:Thomas_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yan:Lisa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Ni:Xiangshan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hagler:Arnold_T=.html" />
<opus:title>Derivation of class II force fields. VIII. Derivation of a general quantum mechanical force field for organic compounds.</opus:title>
<opus:pages>1782-1800</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1131</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#EwigBDHHLLMPSTYNH01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SayanoKGS00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sayano:Kenji.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kono:Hidetoshi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gromiha:M=_Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sarai:Akinori.html" />
<opus:title>Multicanonical Monte Carlo calculation of the free-energy map of the base-amino acid interaction.</opus:title>
<opus:pages>954-962</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200008)21:11&lt;954::AID-JCC5&gt;3.0.CO;2-4</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#SayanoKGS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Oberhammer98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oberhammer:Heinz.html" />
<opus:title>Molecular structures and conformations: Experiment and theory.</opus:title>
<opus:pages>123-128</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980130)19:2&lt;123::AID-JCC4&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#Oberhammer98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FrankeW98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Franke:Robert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/W=uuml=llen:Christoph_Van.html" />
<opus:title>First-order relativistic corrections to MP2 energy from standard gradient codes: Comparison with results from density functional theory.</opus:title>
<opus:pages>1596-1603</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981115)19:14&lt;1596::AID-JCC5&gt;3.0.CO;2-E</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#FrankeW98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GillGA00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gill:Peter_M=_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gilbert:Andrew_T=_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Adams:Terry_R=.html" />
<opus:title>Rapid evaluation of two-center two-electron integrals.</opus:title>
<opus:pages>1505-1510</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200012)21:16&lt;1505::AID-JCC7&gt;3.0.CO;2-4</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#GillGA00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HenchmanE99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Henchman:Richard_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Essex:Jonathan_W=.html" />
<opus:title>Generation of OPLS-like charges from molecular electrostatic potential using restraints.</opus:title>
<opus:pages>483-498</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990415)20:5&lt;483::AID-JCC2&gt;3.0.CO;2-4</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#HenchmanE99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HenchmanM02">
<opus:last_modified_date>2006-01-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Henchman:Richard_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McCammon:James_Andrew.html" />
<opus:title>Extracting hydration sites around proteins from explicit water simulations.</opus:title>
<opus:pages>861-869</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10074</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#HenchmanM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Halgren96a">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Halgren:Thomas_A=.html" />
<opus:title>Merck molecular force field. II. MMFF94 van der Waals and electrostatic parameters for intermolecular. interactions.</opus:title>
<opus:pages>520-552</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5-6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199604)17:5/6&lt;520::AID-JCC2&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#Halgren96a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Halgren96b">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Halgren:Thomas_A=.html" />
<opus:title>Merck molecular force field. III. Molecular geometries and vibrational frequencies for MMFF94.</opus:title>
<opus:pages>553-586</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5-6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199604)17:5/6&lt;553::AID-JCC3&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#Halgren96b</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Halgren96c">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Halgren:Thomas_A=.html" />
<opus:title>Merck molecular force field. V. Extension of MMFF94 using experimental data, additional computational data, and empirical rules.</opus:title>
<opus:pages>616-641</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5-6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199604)17:5/6&lt;616::AID-JCC5&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#Halgren96c</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Halgren99a">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Halgren:Thomas_A=.html" />
<opus:title>MMFF VII. Characterization of MMFF94, MMFF94s, and other widely available force fields for conformational energies and for intermolecular-interaction energies and geometries.</opus:title>
<opus:pages>730-748</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199905)20:7&lt;730::AID-JCC8&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Halgren99a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TagaM95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Taga:Tooru.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Masuda:Kazuhumi.html" />
<opus:title>Monte Carlo Study of Lipid Membranes: Simulation of Diparmitoyl-phosphatidylcholine Bilayers in Gel and Liquid-Crystalline Phases.</opus:title>
<opus:pages>235-242</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#TagaM95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Mazur01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mazur:Alexey_K=.html" />
<opus:title>Molecular dynamics of minimal B-DNA.</opus:title>
<opus:pages>457-467</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200103)22:4&lt;457::AID-JCC1016&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Mazur01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Mazur97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mazur:Alexey_K=.html" />
<opus:title>Quasi-Hamiltonian equations of motion for internal coordinate molecular dynamics of polymers.</opus:title>
<opus:pages>1354-1364</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199708)18:11&lt;1354::AID-JCC3&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Mazur97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HalgrenN96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Halgren:Thomas_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nachbar:Robert_B=.html" />
<opus:title>Merck molecular force field. IV. conformational energies and geometries for MMFF94.</opus:title>
<opus:pages>587-615</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5-6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199604)17:5/6&lt;587::AID-JCC4&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#HalgrenN96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Omalley99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/O=malley:Patrick_J=.html" />
<opus:title>Hybrid density functional studies of a bacteriopheophytin a model and its anion radical form: Geometry, spin densities, and hyperfine couplings.</opus:title>
<opus:pages>1292-1298</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199909)20:12&lt;1292::AID-JCC9&gt;3.0.CO;2-5</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Omalley99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MlhotraTH94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mlhotra:Arun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tan:Robert_K==Z=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harvey:Stephen_C=.html" />
<opus:title>Utilization of Shape Data in Molecular Mechanics Using a Potential Based on Sherical Harmonic Surfaces.</opus:title>
<opus:pages>190-199</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#MlhotraTH94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DagherKK95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dagher:Mounzer.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kobersi:Mounif.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kobeissi:Hafez.html" />
<opus:title>The True Diatomic Potential as a Perturbed Morse Function.</opus:title>
<opus:pages>723-728</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#DagherKK95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KimWKKLK01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kim:Chang_Kon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Won:Jongok.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kim:Hoon_Sik.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kang:Yong_Soo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Hong_Guang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kim:Chan_Kyung.html" />
<opus:title>Density functional theory studies on the dissociation energies of metallic salts: relationship between lattice and dissociation energies.</opus:title>
<opus:pages>827-834</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1048</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#KimWKKLK01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KimWKKLK02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Won:Hongok.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kim:Hoon_Sik.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kang:Yong_Soo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Hong_Guang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kim:Chan_Kyung.html" />
<opus:title>Density functional theory studies on the dissociation energies of metallic salts: Relationship between lattice and dissociation energies.</opus:title>
<opus:pages>584</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1172</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#KimWKKLK02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SosaOCF98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sosa:C=_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ochterski:J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carpenter:J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Frisch:M=_J=.html" />
<opus:title>Ab initio quantum chemistry on the Cray T3E massively parallel supercomputer: II.</opus:title>
<opus:pages>1053-1063</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980715)19:9&lt;1053::AID-JCC6&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#SosaOCF98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DuongZ97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Duong:Tap_Ha.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zakrzewska:Krystyna.html" />
<opus:title>Calculation and analysis of low frequency normal modes for DNA.</opus:title>
<opus:pages>796-811</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970430)18:6&lt;796::AID-JCC5&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#DuongZ97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RegaCB99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rega:Nadia.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cossi:Maurizio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barone:Vincenzo.html" />
<opus:title>Improving performance of polarizable continuum model for study of large molecules in solution.</opus:title>
<opus:pages>1186-1198</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199908)20:11&lt;1186::AID-JCC9&gt;3.0.CO;2-#</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#RegaCB99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HongSWW00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Strajbl:Marek.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wesolowski:Tomasz_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Warshel:Arieh.html" />
<opus:title>Constraining the electron densities in DFT method as an effective way for ab initio studies of metal-catalyzed reactions.</opus:title>
<opus:pages>1554-1561</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200012)21:16&lt;1554::AID-JCC12&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#HongSWW00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KamishimaKY01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kamishima:Mayumi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kojima:Masaaki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yoshikawa:Yuzo.html" />
<opus:title>Calculation of stacking geometries by a modified MM2 method.</opus:title>
<opus:pages>835-845</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1049</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#KamishimaKY01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChandraN98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chandra:Asit_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nguyen:Minh_Tho.html" />
<opus:title>Approach to regiochemistry using local softness in 1, 3-dipolar cycloadditions.</opus:title>
<opus:pages>195-202</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980130)19:2&lt;195::AID-JCC12&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#ChandraN98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChandraU01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chandra:Asit_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Uchimaru:Tadafumi.html" />
<opus:title>Reaction of OH radical with mono-, di-, and trichloroacetaldehyde: an ab initio study.</opus:title>
<opus:pages>1509-1521</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1104</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#ChandraU01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HerrmannS95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Herrmann:Frank.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Suhai:S=aacute=ndor.html" />
<opus:title>Energy Minimization of Peptide Ananlogues Using Genetic Algorithms.</opus:title>
<opus:pages>1434-1445</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#HerrmannS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/StangerT01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stanger:Amnon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tkachenko:Elena.html" />
<opus:title>Strain induced bond localization in strained aromatic compounds with extended systems.</opus:title>
<opus:pages>1377-1386</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1096</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#StangerT01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/EichlerKS97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eichler:Uwe.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/K=ouml=lmel:Christoph_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sauer:Joachim.html" />
<opus:title>Combining ab initio techniques with analytical potential functions for structure predictions of large systems: Method and application to crystalline silica polymorphs.</opus:title>
<opus:pages>463-477</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199703)18:4&lt;463::AID-JCC2&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#EichlerKS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BaldridgeFH94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baldridge:Kim.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fine:R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hagler:Arnold_T=.html" />
<opus:title>The Effects of Solvent Screening in Quantum Mechanical Calculations in Protein Systems.</opus:title>
<opus:pages>1217-1227</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#BaldridgeFH94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HobzaKSMV97">
<opus:last_modified_date>2004-12-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hobza:Pavel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kabel=aacute=c:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sponer:Jir=iacute=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mejzl=iacute=k:Petr.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vondr=aacute=sek:Jiri.html" />
<opus:title>Performance of empirical potentials (AMBER, CFF95, CVFF, CHARMM, OPLS, POLTEV), semiempirical quantum chemical methods (AM1, MNDO/M, PM3), and ab initio Hartree-Fock method for interaction of DNA bases: Comparison with nonempirical beyond Hartree-Fock results.</opus:title>
<opus:pages>1136-1150</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970715)18:9&lt;1136::AID-JCC3&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#HobzaKSMV97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Smith99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:Brian_J=.html" />
<opus:title>Solvation parameters for amino acids.</opus:title>
<opus:pages>428-442</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199903)20:4&lt;428::AID-JCC4&gt;3.0.CO;2-1</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Smith99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TranTB01a">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tran:Tran_Trung.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Treutlein:Herbert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Burgess:Antony_W=.html" />
<opus:title>Conformational analysis of thiopeptides: (, ) maps of thio-substituted dipeptides.</opus:title>
<opus:pages>1026-1037</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1063</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#TranTB01a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Sulkes95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sulkes:Mark.html" />
<opus:title>Conformational Analysis of Jet-Cooled Tryptohan Analogs and Histamine Using the MM3(94) Force Field: Comparison with Experiment.</opus:title>
<opus:pages>973-983</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#Sulkes95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GabdoullineZ95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gabdoulline:Razif_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zheng:Chong.html" />
<opus:title>Effects of the Cutoff Center on the MEan Potential and Pair Distribution Functions in Liquid Water.</opus:title>
<opus:pages>1428-1433</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#GabdoullineZ95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SunYHW99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sun:Ying=Chieh.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yang:Shu=Fen.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hwang:I=Lung.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wu:Tzu=Hsien.html" />
<opus:title>A 500-ps molecular dynamics simulation trajectory of cardiotoxin II from Taiwan cobra venom in solution: Correlation with NMR and X-ray crystallography data.</opus:title>
<opus:pages>546-562</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990415)20:5&lt;546::AID-JCC6&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#SunYHW99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KleinMKW98">
<opus:last_modified_date>2004-12-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Klein:Christian_Th=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mayer:Bernd.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/K=ouml=hler:Gottfried.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wolschann:Peter.html" />
<opus:title>Systematic stepsize variation: Efficient method for searching conformational space of polypeptides.</opus:title>
<opus:pages>1470-1481</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199810)19:13&lt;1470::AID-JCC4&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#KleinMKW98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BalucaniALKGRH01">
<opus:last_modified_date>2004-02-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Balucani:N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Asvany:O=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Y=_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kaiser:Ralf_I=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Galland:N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rayez:M=_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hannachi:Y=.html" />
<opus:title>Gas-phase detection of the HBCC (X1) molecule: a combined crossed beam and computational study of the B(2P)+C2H2(1g+) reaction .</opus:title>
<opus:pages>1359-1365</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1094</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#BalucaniALKGRH01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GlaserCG97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Glaser:Rainer.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Grace_Shiahuy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gr=uuml=tzmacher:Hansjfrg.html" />
<opus:title>&lt;sup&gt;3&lt;/sup&gt;&lt;sub&gt;+&lt;/sub&gt;&lt;sup&gt;3&lt;/sup&gt;&lt;sub&gt;, 2+&lt;/sub&gt;.</opus:title>
<opus:pages>1023-1035</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199706)18:8&lt;1023::AID-JCC6&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#GlaserCG97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HelmsW97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Helms:Volkhard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wade:Rebecca_C=.html" />
<opus:title>Free energies of hydration from thermodynamic integration: Comparison of molecular mechanics force fields and evaluation of calculation accuracy.</opus:title>
<opus:pages>449-462</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199703)18:4&lt;449::AID-JCC1&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#HelmsW97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KalatMH02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kalat:Sam.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mann:Geoff.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hermans:Jan.html" />
<opus:title>Qmd-plot: A graphical utility for rapid preliminary analysis of time series of fluctuating data, developed in the context of molecular dynamics simulations.</opus:title>
<opus:pages>184-188</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10021</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#KalatMH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DamLSV96">
<opus:last_modified_date>2004-07-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dam:Huub_J=_J=_Van.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lenthe:J=_H=_Van.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sleijpen:Gerard_L=_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vorst:Henk_A=_van_der.html" />
<opus:title>An improvement of Davidson&apos;s iteration method: Applications to MRCI and MRCEPA calculations.</opus:title>
<opus:pages>267-272</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199602)17:3&lt;267::AID-JCC1&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#DamLSV96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GiribetAGBCADKL98">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Giribet:C=_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Az=uacute=a:M=_C=_Ruiz_de.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/G=oacute=mez:S=_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Botek:E=_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Contreras:Rub=eacute=n_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Adcock:W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Della:E=_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Krstic:A=_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lochert:I=_J=.html" />
<opus:title>C3(SINGLE BOND)M Bond contribution to polarizability tensor and 3J(C1M) NMR coupling constant in 1-X-3-M-bicyclo[1.1.1]pentanes.</opus:title>
<opus:pages>181-188</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980130)19:2&lt;181::AID-JCC10&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#GiribetAGBCADKL98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BernardoDKL95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bernardo:Dan_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Ding:Yanbo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Krogh=Jespersen:Karsten.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Levy:Ronald_M=.html" />
<opus:title>Evaluating Polarizable Potentials on Distributed Memory Parallel Computers: Program Development and Applications.</opus:title>
<opus:pages>1141-1152</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#BernardoDKL95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FlorianS94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Flori=aacute=n:Jan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheiner:Steve.html" />
<opus:title>Variation of Atomic Charges during Proton Transfer in Hydrogen Bonds.</opus:title>
<opus:pages>553-560</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#FlorianS94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BaysalM99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baysal:Canan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Meirovitch:Hagai.html" />
<opus:title>Efficiency of simulated annealing for peptides with increasing geometrical restrictions.</opus:title>
<opus:pages>1659-1670</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991130)20:15&lt;1659::AID-JCC6&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#BaysalM99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Lopez95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lop=eacute=z:Gustaveo_E=.html" />
<opus:title>The Electronic Strucure of Weakley Bound Systems. I. Rare-Gas Bimolecular Cations.</opus:title>
<opus:pages>758-767</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#Lopez95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SantamariaV94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Santamaria:R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/V=aacute=zquez:A=.html" />
<opus:title>Structural and Electronic Property Changes of the Nucleic Acid Bases upon Base Pair Formation.</opus:title>
<opus:pages>981-996</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#SantamariaV94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ButurovicSV94">
<opus:last_modified_date>2005-09-16</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Buturovic:Ljubomir_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:Temple_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vajda:Sandor.html" />
<opus:title>Finite-State and Reduced-Parameter Representations of Protein Backbone Conformations.</opus:title>
<opus:pages>300-312</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#ButurovicSV94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GordonM98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gordon:D=_Benjamin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mayo:Stephen_L=.html" />
<opus:title>Radical performance enhancements for combinatorial optimization algorithms based on the dead-end elimination theorem.</opus:title>
<opus:pages>1505-1514</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199810)19:13&lt;1505::AID-JCC7&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#GordonM98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Gorczko01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gorczko:Andrzej_J=.html" />
<opus:title>Multiisotopic modeling of fragmentation ion patterns in mass spectra of organometallic and coordination compounds.</opus:title>
<opus:pages>354-365</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200102)22:3&lt;354::AID-JCC1007&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Gorczko01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MilikKS97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Milik:Mariusz.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kolinski:Andrzej.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Skolnick:Jeffrey.html" />
<opus:title>Algorithm for rapid reconstruction of protein backbone from alpha carbon coordinates.</opus:title>
<opus:pages>80-85</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970115)18:1&lt;80::AID-JCC8&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#MilikKS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KlopmanF94">
<opus:last_modified_date>2003-08-20</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Klopman:Gilles.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fercu:Dan.html" />
<opus:title>Application of the Multple Computer Automated Structure Evaluation Methodology to a Qantitative Structure-Activity Relationship Study of Acidity.</opus:title>
<opus:pages>1041-1050</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#KlopmanF94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZauharV96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zauhar:Randy_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Varnek:Alexandre.html" />
<opus:title>A fast and Space-Efficient boundary element method for computing electrostatic and hydration effects in large molecules.</opus:title>
<opus:pages>864-877</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199605)17:7&lt;864::AID-JCC10&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#ZauharV96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GreeneB02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Greene:Katherine_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Beran:Kyle_A=.html" />
<opus:title>Isomers of C20: An energy profile.</opus:title>
<opus:pages>938-942</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10096</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#GreeneB02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MastryukovS98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mastryukov:Vladimir_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Samdal:Svein.html" />
<opus:title>Asymmetry in methyl group of ethane during internal rotation: Ab initio study.</opus:title>
<opus:pages>1141-1145</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980730)19:10&lt;1141::AID-JCC3&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#MastryukovS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TranTB01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tran:Tran_Trung.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Treutlein:Herbert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Burgess:Antony_W=.html" />
<opus:title>Conformational analysis of thiopeptides: derivation of sp2 sulfur parameters for the CFF91 force field.</opus:title>
<opus:pages>1010-1025</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1062</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#TranTB01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KudoHG96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kudo:Takako.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hashimoto:Fujiko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gordon:Mark_S=.html" />
<opus:title>Ab initio study of cyclic siloxanes (H2SiO)n: n = 3, 4, 5.</opus:title>
<opus:pages>1163-1170</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960715)17:9&lt;1163::AID-JCC9&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#KudoHG96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MerceroBLFUP00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mercero:Jose_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barrett:Paul.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lam:Cheuk_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fowler:Joseph_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Ugalde:Jesus_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pedersen:Lee_G=.html" />
<opus:title>Quantum mechanical calculations on phosphate hydrolysis reactions.</opus:title>
<opus:pages>43-51</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000115)21:1&lt;43::AID-JCC5&gt;3.0.CO;2-8</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#MerceroBLFUP00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ShererC01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sherer:Edward_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cramer:Christopher_J=.html" />
<opus:title>Quantum chemical characterization of the cytosine: 2-Aminopurine base pair.</opus:title>
<opus:pages>1167-1179</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1075</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#ShererC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ColominasLO99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Colominas:Carles.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luque:F=_Javier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Orozco:Modesto.html" />
<opus:title>Monte Carlo-MST: New strategy for representation of solvent configurational space in solution.</opus:title>
<opus:pages>665-678</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199905)20:7&lt;665::AID-JCC2&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#ColominasLO99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JanoschekFKK94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Janoschek:Rudolf.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fabian:Walter_M=_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollenz:Gert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kappe:C=_Oliver.html" />
<opus:title>Conformation and Reactivity of a-Oxo-Ketenes: Ab Initio and Semiempirical /AM1, PM3) Calculations.</opus:title>
<opus:pages>132-143</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#JanoschekFKK94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AssfeldRGLSG94">
<opus:last_modified_date>2006-01-13</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Assfeld:Xavier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruiz=L=oacute=pez:Manuel_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gonzalez:J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/L=oacute=pez:Ram=oacute=n.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sordo:Jos=eacute=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gonzalo:Tom=aacute=s_L=_Sordo.html" />
<opus:title>Theoretical Analysis of the Role of the Solvent on the Reaction on the Reaction Mechanismus: One-Step versus Two-Step Ketene-Imine Cycloaddition.</opus:title>
<opus:pages>479-487</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#AssfeldRGLSG94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GibsonS94a">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gibson:Kenneth_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:title>An Algorithm for Packing Regular Multistrand Polypeptide Structures by Energy Minimization.</opus:title>
<opus:pages>1414-1428</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#GibsonS94a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SalazarB98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Salazar:Michael_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bell:Richard_L=.html" />
<opus:title>General methodology in two dimensions for classical simulation of reactive and nonreactive events on ab initio potential energy surfaces.</opus:title>
<opus:pages>1431-1444</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199810)19:13&lt;1431::AID-JCC1&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#SalazarB98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RochaPRSOA98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rocha:Willian_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jr=:Josefredo_R=_Pliego.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Resende:Stella_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Santos:H=eacute=lio_F=_Dos.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oliveira:Marcos_A=_De.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Almeida:Wagner_B=_De.html" />
<opus:title>Ab initio conformational analysis of cyclooctane molecule.</opus:title>
<opus:pages>524-534</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980415)19:5&lt;524::AID-JCC5&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#RochaPRSOA98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SigfridssonR98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sigfridsson:Emma.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ryde:Ulf.html" />
<opus:title>Comparison of methods for deriving atomic charges from the electrostatic potential and moments.</opus:title>
<opus:pages>377-395</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199803)19:4&lt;377::AID-JCC1&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#SigfridssonR98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MezaM94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Meza:Juan_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Martinez:M=oacute=nica_L=.html" />
<opus:title>Direct Search for the Molecular Conformation Problem.</opus:title>
<opus:pages>627-632</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#MezaM94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DelgadoA01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Delgado:Eduardo_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alderete:Joel_B=.html" />
<opus:title>Prediction of infinite dilution activity coefficients of chlorinated organic compounds in aqueous solution from quantum-chemical descriptors.</opus:title>
<opus:pages>1851-1856</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1136</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#DelgadoA01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Mezei97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mezei:Mihaly.html" />
<opus:title>Optimal position of solute for simulations.</opus:title>
<opus:pages>812-815</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970430)18:6&lt;812::AID-JCC6&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Mezei97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Mezey98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mezey:Paul_G=.html" />
<opus:title>Averaged electron densities for averaged conformations.</opus:title>
<opus:pages>1337-1344</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199809)19:12&lt;1337::AID-JCC2&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#Mezey98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RogalewiczOG00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rogalewicz:Francoise.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ohanessian:Gilles.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gresh:Nohad.html" />
<opus:title>Interaction of neutral and zwitterionic glycine with Zn2+ in gas phase: ab initio and SIBFA molecular mechanics calculations.</opus:title>
<opus:pages>963-973</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200008)21:11&lt;963::AID-JCC6&gt;3.0.CO;2-3</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#RogalewiczOG00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LommersePT97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lommerse:Jos_P=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Price:Sarah_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Taylor:Robin.html" />
<opus:title>Hydrogen bonding of carbonyl, ether, and ester oxygen atoms with alkanol hydroxyl groups.</opus:title>
<opus:pages>757-774</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970430)18:6&lt;757::AID-JCC3&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#LommersePT97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MishraM02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mishra:S=_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mishra:P=_C=.html" />
<opus:title>An ab initio theoretical study of electronic structure and properties of 2-deoxyguanosine in gas phase and aqueous media.</opus:title>
<opus:pages>530-540</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10046</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#MishraM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WalkerM95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Walker:P=_Duane.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mezey:Paul_G=.html" />
<opus:title>Toward Similarity Measures for Macromolecular Bodies: MEDLA Test Calculations for Substituted Benzene Systems.</opus:title>
<opus:pages>1238-1249</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#WalkerM95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GilardoniWHD99">
<opus:last_modified_date>2006-10-25</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gilardoni:Fran=ccedil=ois.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weber:Jacques.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hauser:Andreas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Daul:Claude.html" />
<opus:title>A comparison of ground- and excited-state properties of [Ru(bz)2]2+ and bis(6-benzene)ruthenium(II) p-toluenesulfonate using the density functional theory.</opus:title>
<opus:pages>1343-1353</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199910)20:13&lt;1343::AID-JCC2&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#GilardoniWHD99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WangMWMCB01">
<opus:last_modified_date>2006-10-25</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mackenzie=Ross:H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Winkler:David_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McCarthy:Ian_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Campbell:Laurence.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brunger:Michael_J=.html" />
<opus:title>A high-resolution electron momentum spectroscopy and density functional theory study into the complete valence electronic structure of allene.</opus:title>
<opus:pages>1321-1333</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1090</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#WangMWMCB01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BursiLF95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bursi:R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lankhorst:M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Feil:D=.html" />
<opus:title>Uncoupled Hartree-Fock Calculations of the Polarizability and Hyperpolarizabilities of Nitrophenols.</opus:title>
<opus:pages>545-562</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#BursiLF95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiwoKCGOWRPS98">
<opus:last_modified_date>2006-01-25</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liwo:Adam.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kazmierkiewicz:Rajmund.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Czaplewski:Cezary.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Groth:Malgorzata.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oldziej:Stanislaw.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wawak:Ryszard_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rackovsky:Shelly.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pincus:Matthew_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:title>United-residue force field for off-lattice protein-structure simulations: III. Origin of backbone hydrogen-bonding cooperativity in united-residue potentials.</opus:title>
<opus:pages>259-276</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199802)19:3&lt;259::AID-JCC1&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#LiwoKCGOWRPS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KennedyZ99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kennedy:H=_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhao:Y=.html" />
<opus:title>Use of STOs in Hartree-Fock calculations: Error analysis and variance-minimized pseudospectral method.</opus:title>
<opus:pages>1537-1548</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991115)20:14&lt;1537::AID-JCC7&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#KennedyZ99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VillaM02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Villa:Alessandra.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mark:Alan_E=.html" />
<opus:title>Calculation of the free energy of solvation for neutral analogs of amino acid side chains.</opus:title>
<opus:pages>548-553</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10052</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#VillaM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TorrentMBM02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Torrent:Maricel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Musaev:Djamaladdin_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Basch:Harold.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Morokuma:Keiji.html" />
<opus:title>Computational studies of reaction mechanisms of methane monooxygenase and ribonucleotide reductase.</opus:title>
<opus:pages>59-76</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1157</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#TorrentMBM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KholmurodovSYDE00">
<opus:last_modified_date>2006-07-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kholmurodov:Kholmirzo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:William.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yasuoka:Kenji.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Darden:Thomas_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Ebisuzaki:Toshikazu.html" />
<opus:title>A smooth-particle mesh Ewald method for DL_POLY molecular dynamics simulation package on the Fujitsu VPP700.</opus:title>
<opus:pages>1187-1191</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200010)21:13&lt;1187::AID-JCC7&gt;3.0.CO;2-7</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#KholmurodovSYDE00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MeyerSBS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Meyer:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Steinke:Thomas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brandl:Maria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/S=uuml=hnel:J=uuml=rgen.html" />
<opus:title>Density functional study of guanine and uracil quartets and of guanine quartet/metal ion complexes.</opus:title>
<opus:pages>109-124</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010115)22:1&lt;109::AID-JCC11&gt;3.0.CO;2-5</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#MeyerSBS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FisherH01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fisher:Luke.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Holme:Thomas.html" />
<opus:title>MM3 parameterization for the BN dative bond.</opus:title>
<opus:pages>913-922</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1054</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#FisherH01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Field02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Field:Martin_J=.html" />
<opus:title>Simulating enzyme reactions: Challenges and perspectives.</opus:title>
<opus:pages>48-58</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1156</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Field02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TakashimaKTN99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Takashima:Hajime.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kitamura:Kunihiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tanabe:Kazutoshi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nagashima:Umpei.html" />
<opus:title>Is large-scale ab initio Hartree-Fock calculation chemically accurate? Toward improved calculation of biological molecule properties.</opus:title>
<opus:pages>443-454</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199903)20:4&lt;443::AID-JCC5&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#TakashimaKTN99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MohleGH97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/M=ouml=hle:Kerstin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gu=szlig=mann:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hofmann:Hans=J=ouml=rg.html" />
<opus:title>Structural and energetic relations between turns.</opus:title>
<opus:pages>1415-1430</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199708)18:11&lt;1415::AID-JCC8&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#MohleGH97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MohleHT01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/M=ouml=hle:Kerstin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hofmann:Hans=J=ouml=rg.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thiel:Walter.html" />
<opus:title>Description of peptide and protein secondary structures employing semiempirical methods.</opus:title>
<opus:pages>509-520</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010415)22:5&lt;509::AID-JCC1022&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#MohleHT01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MooijEPVK98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mooij:Wijnand_T=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eijck:Bouke_P=_van.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Price:Sarah_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Verwer:Paul.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kroon:Jan.html" />
<opus:title>Crystal structure predictions for acetic acid.</opus:title>
<opus:pages>459-474</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199803)19:4&lt;459::AID-JCC6&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#MooijEPVK98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Pascual-AhuirST94">
<opus:last_modified_date>2004-09-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pascual=Ahuir:Juan=Luis.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Silla:Estanislao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tu=ntilde==oacute=n:I=ntilde=aki.html" />
<opus:title>GEPOL: An Improved Description of Molecular Surfaces. III. A New Algorithm for the Computation of a Silvent- Excluding Surface.</opus:title>
<opus:pages>1127-1139</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Pascual-AhuirST94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VahtrasJ94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vahtras:Olav.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jensen:Hans_Jorgen_Aa=.html" />
<opus:title>Direct One-Index Transformations in Multiconfiguration Response Calculations.</opus:title>
<opus:pages>573-579</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#VahtrasJ94</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JufferAV96">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Argos:P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vlieg:J=_de.html" />
<opus:title>Adsorption of proteins onto charged surfaces: A Monte Carlo approach with explicit ions.</opus:title>
<opus:pages>1783-1803</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199612)17:16&lt;1783::AID-JCC1&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#JufferAV96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BartelsGBW97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bartels:Christian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/G=uuml=ntert:Peter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Billeter:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/W=uuml=thrich:Kurt.html" />
<opus:title>GARANT-a general algorithm for resonance assignment of multidimensional nuclear magnetic resonance spectra.</opus:title>
<opus:pages>139-149</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970115)18:1&lt;139::AID-JCC13&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#BartelsGBW97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BartheRDC02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barthe:Philippe.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roumestand:Christian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/D=eacute=m=eacute=n=eacute=:H=eacute=l=egrave=ne.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chiche:Laurent.html" />
<opus:title>Helix motion in protein C12A-p8MTCP1: Comparison of molecular dynamics simulations and multifield NMR relaxation data.</opus:title>
<opus:pages>1577-1586</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10114</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#BartheRDC02</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Knight00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Knight:Eugene_T=.html" />
<opus:title>A radial probability density function for analysis of canonical molecular orbitals.</opus:title>
<opus:pages>310-321</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200003)21:4&lt;310::AID-JCC6&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#Knight00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JelskiB96">
<opus:last_modified_date>2003-05-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jelski:Daniel_A=.html" />
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bowman:Joel_M=.html" />
<opus:title>New vibrational self-consistent field program for large molecules.</opus:title>
<opus:pages>1645-1652</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19961115)17:14&lt;1645::AID-JCC6&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#JelskiB96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MaxwellTJ95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maxwell:David_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tirado=Rives:Julian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jorgensen:William_L=.html" />
<opus:title>A Comprehensive Study of the Rotational Energy Profiles of Orgenic Systems by Ab Initio MO Theory, Forming a Base for Pepetide Torsional Parameters.</opus:title>
<opus:pages>984-1010</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#MaxwellTJ95</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Kuczera96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kuczera:Krzysztof.html" />
<opus:title>One- and multidimensional conformational free energy simulations.</opus:title>
<opus:pages>1726-1749</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19961130)17:15&lt;1726::AID-JCC4&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#Kuczera96</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Vasilyev02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vasilyev:Vladislav.html" />
<opus:title>Determination of the effective dielectric constant from the accurate solution of the Poisson equation.</opus:title>
<opus:pages>1254-1265</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10131</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Vasilyev02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WellsL00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wells:Mona_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lucchese:Robert_R=.html" />
<opus:title>Computing the superexchange electronic factor of electron transfer theory using a grid-based numerical method.</opus:title>
<opus:pages>1262-1273</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20001115)21:14&lt;1262::AID-JCC5&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#WellsL00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RadmerK97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollman:Peter_A=.html" />
<opus:title>Free energy calculation methods: A theoretical and empirical comparison of numerical errors and a new method qualitative estimates of free energy changes.</opus:title>
<opus:pages>902-919</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199705)18:7&lt;902::AID-JCC4&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#RadmerK97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ShimB98a">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shim:Joong=Youn.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bowen:J=_Phillip.html" />
<opus:title>Molecular mechanics studies of acyl halides: II. Vibrational spectra.</opus:title>
<opus:pages>1387-1401</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199809)19:12&lt;1387::AID-JCC6&gt;3.0.CO;2-E</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#ShimB98a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SponerLH96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sponer:Jir=iacute=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leszczynski:Jerzy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hobza:Pavel.html" />
<opus:title>Base stacking in cytosine dimer. A comparison of correlated ab initio calculations with three empirical potential models and density functional theory calculations.</opus:title>
<opus:pages>841-850</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199605)17:7&lt;841::AID-JCC8&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#SponerLH96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AuerHK02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Auer:Alexander_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Helgaker:Trygve.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Klopper:Wim.html" />
<opus:title>Basis-set completeness profiles in two dimensions.</opus:title>
<opus:pages>420-425</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1169</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#AuerHK02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MellerWE02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Meller:Jaroslaw.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wagner:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Elber:Ron.html" />
<opus:title>Maximum feasibility guideline in the design and analysis of protein folding potentials.</opus:title>
<opus:pages>111-118</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10014</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#MellerWE02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NevinsCA96">
<opus:last_modified_date>2005-07-06</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nevins:Neysa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Kuo=Hsiang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:title>Molecular mechanics (MM4) calculations on alkenes.</opus:title>
<opus:pages>669-694</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5-6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199604)17:5/6&lt;669::AID-JCC7&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#NevinsCA96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NevinsLA96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nevins:Neysa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lii:Jenn=Huei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allinger:Norman_L=.html" />
<opus:title>Molecular mechanics (MM4) calculations on conjugated hydrocarbons.</opus:title>
<opus:pages>695-729</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5-6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199604)17:5/6&lt;695::AID-JCC8&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#NevinsLA96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CossiMC96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cossi:Maurizio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mennucci:Benedetta.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cammi:Roberto.html" />
<opus:title>Analytical first derivatives of molecular surfaces with respect to nuclear coordinates.</opus:title>
<opus:pages>57-73</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960115)17:1&lt;57::AID-JCC6&gt;3.0.CO;2-#</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#CossiMC96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BasmaSCVW01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Basma:Maral.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sundara:S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/=/=Ccedil=algan:Dilek.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vernali:Tereza.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Woods:Robert_J=.html" />
<opus:title>Solvated ensemble averaging in the calculation of partial atomic charges.</opus:title>
<opus:pages>1125-1137</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1072</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#BasmaSCVW01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ErionR95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Erion:Mark_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reddy:M=_Rami.html" />
<opus:title>Calculation of Relative Free Energy Differrences for the Covalent Hydration of Organic Compounds: A Combined Quantum Mechanical and Free Energy Perturbation Study.</opus:title>
<opus:pages>1513-1521</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#ErionR95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AaltenGFBA97">
<opus:last_modified_date>2006-11-02</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Aalten:Daan_M=_F=_van.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Groot:Bert_L=_De.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Findlay:John_B=_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berendsen:Herman_J=_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Amadei:Andrea.html" />
<opus:title>A comparison of techniques for calculating protein essential dynamics.</opus:title>
<opus:pages>169-181</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970130)18:2&lt;169::AID-JCC3&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#AaltenGFBA97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BofillBR98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bofill:Josep_Maria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bono:Hugo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rubio:Jaime.html" />
<opus:title>Analysis of the convergence of the general coupling operator method for one-configuration-type wave functions.</opus:title>
<opus:pages>368-376</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199802)19:3&lt;368::AID-JCC10&gt;3.0.CO;2-E</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#BofillBR98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WibergCK96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wiberg:Kenneth_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Castejon:Henry.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Keith:Todd_A=.html" />
<opus:title>Solvent effects: 6. A comparison between gas phase and solution acidities.</opus:title>
<opus:pages>185-190</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960130)17:2&lt;185::AID-JCC6&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#WibergCK96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/IwaoSH98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Iwao:Keiji.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sakakibara:Kazuhisa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirota:Minoru.html" />
<opus:title>Evaluation of reactivity for nitroxide radical trapping by correlation analysis using steric substituent parameter (S).</opus:title>
<opus:pages>215-221</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980130)19:2&lt;215::AID-JCC14&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#IwaoSH98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CostasA99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Costas:Mar=iacute=a_Eugenia.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Acevedo=Ch=aacute=vez:Rodolfo.html" />
<opus:title>Density functional study of neutral allopurinol tautomeric forms.</opus:title>
<opus:pages>200-206</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990130)20:2&lt;200::AID-JCC2&gt;3.0.CO;2-1</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#CostasA99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DeBoltPK94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/DeBolt:Stephen_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pearlman:David_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollman:Peter_A=.html" />
<opus:title>Free Energy Peturbation Calculations on Parallel Computers: Demonstrations of Scalable Linear Speedup.</opus:title>
<opus:pages>351-374</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#DeBoltPK94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FraderaS02">
<opus:last_modified_date>2003-08-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fradera:Xavier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sol=agrave=:Miquel.html" />
<opus:title>Electron localization and delocalization in open-shell molecules.</opus:title>
<opus:pages>1347-1356</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10141</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#FraderaS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Mitin94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mitin:Alexander_V=.html" />
<opus:title>Iterative Methods for the Calculation of a Few of the Lowest Eigenvalues and Corresponding Eigenvectors of the AX = Lamda BX Equation with Real Symmetric Matrices of Large Dimension.</opus:title>
<opus:pages>747-751</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Mitin94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Mitin98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mitin:Alexander_V=.html" />
<opus:title>Calculation of rovibrational energy levels of diatomic molecules by Dunham method with potential obtained from ab initio calculations.</opus:title>
<opus:pages>94-101</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980115)19:1&lt;94::AID-JCC8&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#Mitin98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MitchellS00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mitchell:Anthony_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Spackman:Mark_A=.html" />
<opus:title>Molecular surfaces from the promolecule: A comparison with Hartree-Fock ab initio electron density surfaces.</opus:title>
<opus:pages>933-942</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200008)21:11&lt;933::AID-JCC3&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#MitchellS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TorreLBP99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Torre:Al=iacute=cia.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lain:Luis.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bochicchio:Roberto.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Ponec:Robert.html" />
<opus:title>Nature of nonclassical bonds in Closo-Boranes: Nonlinear population analysis approach.</opus:title>
<opus:pages>1085-1090</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990730)20:10&lt;1085::AID-JCC10&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#TorreLBP99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LuoDG02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luo:Ray.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/David:Laurent.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gilson:Michael_K=.html" />
<opus:title>Accelerated Poisson-Boltzmann calculations for static and dynamic systems.</opus:title>
<opus:pages>1244-1253</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10120</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#LuoDG02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GisbergenGB00">
<opus:last_modified_date>2004-09-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gisbergen:Stan_J=_A=_van.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Guerra:C=eacute=lia_Fonseca.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baerends:Evert_Jan.html" />
<opus:title>Towards excitation energies and (hyper)polarizability calculations of large molecules. Application of parallelization and linear scaling techniques to time-dependent density functional response theory.</opus:title>
<opus:pages>1511-1523</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200012)21:16&lt;1511::AID-JCC8&gt;3.0.CO;2-C</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#GisbergenGB00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DorukerJB02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Doruker:Pemra.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jernigan:Robert_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bahar:Ivet.html" />
<opus:title>Dynamics of large proteins through hierarchical levels of coarse-grained structures.</opus:title>
<opus:pages>119-127</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1160</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#DorukerJB02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FukawaHFTN01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fukawa:Shuhei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hada:Masahiko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fukuda:Ryoichi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tanaka:Shinji.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakatsuji:Hiroshi.html" />
<opus:title>Relativistic effects and the halogen dependencies in the 13C chemical shifts of CH4-nIn, CH4-nBrn, CCl4-nIn, and CBr4-nIn (n=0-4).</opus:title>
<opus:pages>528-536</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010415)22:5&lt;528::AID-JCC1024&gt;3.0.CO;2-9</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#FukawaHFTN01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SolivaOL97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Soliva:Robert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Orozco:Modesto.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luque:F=_Javier.html" />
<opus:title>Suitability of density functional methods for calculation of electrostatic properties.</opus:title>
<opus:pages>980-991</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199706)18:8&lt;980::AID-JCC2&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#SolivaOL97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PalmerL94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Palmer:Ian_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Ladik:Janos.html" />
<opus:title>New Implementation of a Program to Calculate Correlated Band Structures of Polymers: An Application to the Band Strucutre of Polyparaphenylene (PPP).</opus:title>
<opus:pages>814-819</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#PalmerL94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WheatleyM94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wheatley:Richard_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mitchell:John_B=_O=.html" />
<opus:title>Gaussian Multipoles in Practice: Electrostatic Energeis for Intermolecular Potentials.</opus:title>
<opus:pages>1187-1198</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#WheatleyM94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Mitrasinovic01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mitrasinovic:Petar_M=.html" />
<opus:title>Quantitative characterization of the PC bonds in ylides of phosphorus.</opus:title>
<opus:pages>1387-1395</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1097</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Mitrasinovic01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FreemanLHP97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Freeman:Fillmore.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Choonsun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hehre:Warren_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Po:Henry_N=.html" />
<opus:title>Ab initio molecular orbital calculations of 3, 4-dihydro-1, 2-dioxin, 3, 6-dihydro-1, 2-dioxin, 4H-1, 3-dioxin (1, 3-diox-4-ene), and 2, 3-dihydro-1, 4-dioxin (1, 4-dioxene).</opus:title>
<opus:pages>1392-1406</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199708)18:11&lt;1392::AID-JCC6&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#FreemanLHP97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FreemanLPH98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Freeman:Fillmore.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Choonsun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Po:Henry_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hehre:Warren_J=.html" />
<opus:title>Ab initio molecular orbital study of energies and conformers of 3, 4-dihydro-1, 2-dithiin, 3, 6-dihydro-1, 2-dithiin, 4H-1, 3-dithiin, and 2, 3-dihydro-1, 4-dithiin.</opus:title>
<opus:pages>1064-1071</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980715)19:9&lt;1064::AID-JCC7&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#FreemanLPH98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TantilloH02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tantillo:Dean_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Houk:K=_N=.html" />
<opus:title>Transition state docking: A probe for noncovalent catalysis in biological systems. Application to antibody-catalyzed ester hydrolysis.</opus:title>
<opus:pages>84-95</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10019</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#TantilloH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CescoDGRPOTC99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cesco:Juan_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Denner:Claudia_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Giubergia:Graciela_O=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rosso:Ana_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/P=eacute=rez:Jorge_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ortiz:F=_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Taurian:Oscar_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Contreras:Rub=eacute=n_H=.html" />
<opus:title>Implementation of atomic basis set composed of 1s Gaussian and 1s Slater-type orbitals to carry out quantum mechanics molecular calculations.</opus:title>
<opus:pages>604-609</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990430)20:6&lt;604::AID-JCC6&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#CescoDGRPOTC99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Valdes-Pesrez94">
<opus:last_modified_date>2004-01-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vald=eacute=s=P=eacute=rez:Ra=uacute=l_E=.html" />
<opus:title>Algorithm to Infer the Strucutres of Molecular Formulas within a Reaction Pathway.</opus:title>
<opus:pages>1266-1278</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Valdes-Pesrez94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GoedePF97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Goede:Andrean.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Preissner:Robert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fr=ouml=mmel:Cornelius.html" />
<opus:title>Voronoi cell: New method for allocation of space among atoms: Elimination of avoidable errors in calculation of atomic volume and density.</opus:title>
<opus:pages>1113-1123</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970715)18:9&lt;1113::AID-JCC1&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#GoedePF97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MakinoK98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Makino:Shingo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kuntz:Irwin_D=.html" />
<opus:title>ELECT++: Faster conformational search method for docking flexible molecules using molecular similarity.</opus:title>
<opus:pages>1834-1852</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199812)19:16&lt;1834::AID-JCC5&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#MakinoK98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/EijckMK01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eijck:Bouke_P=_van.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mooij:Wijnand_T=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kroon:Jan.html" />
<opus:title>Ab initio crystal structure predictions for flexible hydrogen-bonded molecules. Part II. Accurate energy minimization.</opus:title>
<opus:pages>805-815</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1046</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#EijckMK01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Lipkowitz00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lipkowitz:Kenny_B=.html" />
<opus:title>Book review.</opus:title>
<opus:pages>77-78</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000115)21:1&lt;77::AID-JCC9&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#Lipkowitz00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AplincourtRAB99">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Aplincourt:P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruiz=L=oacute=pez:Manuel_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Assfeld:Xavier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bohr:F=.html" />
<opus:title>Structure of isolated and solvated peroxyl radicals.</opus:title>
<opus:pages>1039-1048</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990730)20:10&lt;1039::AID-JCC6&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#AplincourtRAB99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Marynick97a">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Marynick:Dennis_S=.html" />
<opus:title>Accurate molecular electrostatic potentials based on modified PRDDO/M wave functions: II. Electrostatic potentials inside the molecular van der Waals envelope.</opus:title>
<opus:pages>1682-1693</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199710)18:13&lt;1682::AID-JCC10&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Marynick97a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/EisenhaberLASS95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eisenhaber:Frank.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lijnzaad:Philip.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Argos:Patrick.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sander:Chris.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scharf:Michael.html" />
<opus:title>The Double Cubic Lattice Method: Efficient Approaches to Numerical Integration of Surface Area and Volume and to Dot Surface Contouring of Molecular Assemblies.</opus:title>
<opus:pages>273-284</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#EisenhaberLASS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HadaWFN01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hada:Masahiko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wan:Jian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fukuda:Ryoichi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakatsuji:Hiroshi.html" />
<opus:title>Quasirelativistic study of 125Te nuclear magnetic shielding constants and chemical shifts.</opus:title>
<opus:pages>1502-1508</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1103</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#HadaWFN01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Sandak01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sandak:Bilha.html" />
<opus:title>Multiscale fast summation of long-range charge and dipolar interactions.</opus:title>
<opus:pages>717-731</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1039</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Sandak01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BrodmeierP94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brodmeier:Tilman.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pretsch:Ern=ouml=.html" />
<opus:title>Application of Genetic Algorithms in Molecular Modeling.</opus:title>
<opus:pages>588-595</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#BrodmeierP94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/EbertBDFV99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Ebert:Hubert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Battocletti:M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Deng:M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Freyer:Harald.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Voitl=auml=nder:J=.html" />
<opus:title>Fully relativistic description of static magnetic hyperfine interaction in magnetic and nonmagnetic solids.</opus:title>
<opus:pages>1246-1253</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199909)20:12&lt;1246::AID-JCC4&gt;3.0.CO;2-D</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#EbertBDFV99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/OnufrievCB02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Onufriev:Alexey.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Case:David_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bashford:Donald.html" />
<opus:title>Effective Born radii in the generalized Born approximation: The importance of being perfect.</opus:title>
<opus:pages>1297-1304</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10126</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#OnufrievCB02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KocaPI95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Koca:Jaroslav.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/P=eacute=rez:Serge.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Imberty:Anne.html" />
<opus:title>Conformational Analysis and Flexibility of Carbohydrates Using the CICADA Approach with MM3.</opus:title>
<opus:pages>296-310</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#KocaPI95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KobayashiSN01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kobayashi:Kaoru.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sano:Yuko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nagase:Shigeru.html" />
<opus:title>Theoretical study of endohedral metallofullerenes: Sc3-nLanN@C80 (n=0-3).</opus:title>
<opus:pages>1353-1358</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1093</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#KobayashiSN01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/EndoKOSMKC01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Endo:K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Koizumi:S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Otsuka:T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Suhara:M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Morohasi:T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kurmaev:E=_Z=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chong:D=_P=.html" />
<opus:title>Analysis of XPS and XES of diamond and graphite by DFT calculations using model molecules.</opus:title>
<opus:pages>102-108</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010115)22:1&lt;102::AID-JCC10&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#EndoKOSMKC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BenassiT00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Benassi:Rois.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Taddei:Fernando.html" />
<opus:title>Complete basis set model chemistry applied to molecules of increasing molecular complexity: Thermochemical properties of organic sulfur derivatives.</opus:title>
<opus:pages>1405-1418</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20001130)21:15&lt;1405::AID-JCC7&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#BenassiT00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CarballeiraP00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carballeira:Luis.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/P=eacute=rez=Juste:Ignacio.html" />
<opus:title>An ab initio interpretation in gas phase and aqueous solution of the generalized anomeric effect in ROCR2NR2 (R = H, CH3).</opus:title>
<opus:pages>462-477</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000430)21:6&lt;462::AID-JCC5&gt;3.0.CO;2-Z</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#CarballeiraP00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CarballeiraP01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carballeira:Luis.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/P=eacute=rez=Juste:Ignacio.html" />
<opus:title>Role of the anomeric effect in methanediamines in the gas phase and aqueous solutions.</opus:title>
<opus:pages>135-150</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010130)22:2&lt;135::AID-JCC1&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#CarballeiraP01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CarballeiraP98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carballeira:Luis.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/P=eacute=rez=Juste:Ignacio.html" />
<opus:title>Influence of calculation level and effect of methylation on axial/equatorial equilibria in piperidines.</opus:title>
<opus:pages>961-976</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199806)19:8&lt;961::AID-JCC14&gt;3.0.CO;2-A</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#CarballeiraP98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JemmerK98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jemmer:Patrick.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Knowles:Peter_J=.html" />
<opus:title>Symbolic algebra in functional derivative potential calculations.</opus:title>
<opus:pages>300-307</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199802)19:3&lt;300::AID-JCC4&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#JemmerK98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JemmisRJ01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jemmis:Eluvathingal_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ramalingam:M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jayasree:Elambalassery_G=.html" />
<opus:title>Cationic Closo Carboranes - Promising Weakly Coordinating Ions.</opus:title>
<opus:pages>1542-1551</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1107</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#JemmisRJ01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BrooksJK95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brooks:Bernard_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Janezic:Dusanka.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karplus:Martin.html" />
<opus:title>Harmonic Analysis of Large Systems. I. Methodology.</opus:title>
<opus:pages>1522-1542</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#BrooksJK95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GleiterPK95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gleiter:Rolf.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pfeifer:Karl=Heinz.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Koch:Wolfram.html" />
<opus:title>&lt;sub&gt;4&lt;/sub&gt;] Prismane and Its Congeners: A MO-Theoretical Study.</opus:title>
<opus:pages>31-36</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#GleiterPK95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/OrzechowskiCP02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Orzechowski:Marek.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cieplak:Piotr.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Piela:Lucjan.html" />
<opus:title>Theoretical calculation of the coiled-coil stability in water in the context of its possible use as a molecular rack.</opus:title>
<opus:pages>106-110</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10020</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#OrzechowskiCP02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Schleyer01">
<opus:last_modified_date>2004-09-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schleyer:Paul_von_Ragu=eacute=.html" />
<opus:title>An appreciation.</opus:title>
<opus:pages>9-11</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1116</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Schleyer01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KuznetsovaK01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kuznetsova:Tatyana.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kvamme:Bj=ocirc=rn.html" />
<opus:title>Viabilty of atomistic potentials for thermodynamic properties of carbon dioxide at low temperatures.</opus:title>
<opus:pages>1772-1781</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1130</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#KuznetsovaK01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SigfridssonRB02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sigfridsson:Emma.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ryde:Ulf.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bush:Bruce_L=.html" />
<opus:title>Restrained point-charge models for disaccharides.</opus:title>
<opus:pages>351-364</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10024</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#SigfridssonRB02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LewinSDB99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lewin:Anita_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sorensen:Jennifer_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dustman:John_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bowen:J=_Phillip.html" />
<opus:title>Computational methods for conformational analysis of unsymmetrical 1, 3-diamines: 3-aminotropanes.</opus:title>
<opus:pages>1371-1378</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199910)20:13&lt;1371::AID-JCC4&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#LewinSDB99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Forst96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Forst:Wendell.html" />
<opus:title>Sum and density of states of polyatomic systems with hindered rotors.</opus:title>
<opus:pages>954-961</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199606)17:8&lt;954::AID-JCC4&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#Forst96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiangYHESH95">
<opus:last_modified_date>2004-02-19</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liang:Congxin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yan:Liqun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hill:J=ouml=rg=R=uuml=diger.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Ewig:Carl_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stouch:Terry_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hagler:Arnold_T=.html" />
<opus:title>Force Field Studies of Cholesterol and Chelesteryl Acetate Crystals and Cholesterol-Cholesterol Intermolecular Interactions.</opus:title>
<opus:pages>883-897</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#LiangYHESH95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MikkelsenRH99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mikkelsen:Kurt_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruud:Kenneth.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Helgaker:Trygve.html" />
<opus:title>Solvent effects on the NMR parameters of H2S and HCN.</opus:title>
<opus:pages>1281-1291</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199909)20:12&lt;1281::AID-JCC8&gt;3.0.CO;2-C</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#MikkelsenRH99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/OnoKHNN02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ono:Satoshi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kuroda:Masataka.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Higo:Junichi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakajima:Nobuyuki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakamura:Haruki.html" />
<opus:title>Calibration of force-field dependency in free energy landscapes of peptide conformations by quantum chemical calculations.</opus:title>
<opus:pages>470-476</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10032</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#OnoKHNN02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Carpenter02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carpenter:John_E=.html" />
<opus:title>Computation of pressure components due to Class II force fields.</opus:title>
<opus:pages>667-672</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10070</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Carpenter02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JorgensenJ98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jorgensen:William_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jenson:Corky.html" />
<opus:title>Temperature dependence of TIP3P, SPC, and TIP4P water from NPT Monte Carlo simulations: Seeking temperatures of maximum density.</opus:title>
<opus:pages>1179-1186</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980730)19:10&lt;1179::AID-JCC6&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#JorgensenJ98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DauchezDLV95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dauchez:Manuel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Derreumaux:Philippe.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lagenat:Philippe.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vergoten:G=eacute=rard.html" />
<opus:title>A Vibrational Molecular Force Field of Model Compounds with Biological Interest. IV. Parameters for the Different Glycosidic Linkages of Oligoaccharides.</opus:title>
<opus:pages>188-199</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#DauchezDLV95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GiordanCT96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Giordan:Marcelo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Custodio:Rog=eacute=rio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Trigo:Jos=eacute=_Roberto.html" />
<opus:title>Pyrrolizidine alkaloids necine bases: Ab initio, semiempirical, and molecular mechanics approaches to molecular properties.</opus:title>
<opus:pages>156-166</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960130)17:2&lt;156::AID-JCC3&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#GiordanCT96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FurlaniK95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Furlani:Thomas_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/King:Harry_F=.html" />
<opus:title>Implemenation of a Parallel Direct SCF Algorithm on Distributed Memory Computers.</opus:title>
<opus:pages>91-104</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#FurlaniK95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WillockPLC95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Willock:David_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Price:Sally_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leslie:Maurice.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Catlow:C=_R=_A=.html" />
<opus:title>The Relaxation of Molecular Crystal Structures Using a Distributed Multipole Electrostatic Model.</opus:title>
<opus:pages>628-647</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#WillockPLC95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AngladaB97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Anglada:Josep_Maria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bofill:Josep_Maria.html" />
<opus:title>A reduced-restricted-quasi-Newton-Raphson method for locating and optimizing energy crossing points between two potential energy surfaces.</opus:title>
<opus:pages>992-1003</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199706)18:8&lt;992::AID-JCC3&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#AngladaB97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AngladaB98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Anglada:Josep_Maria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bofill:Josep_Maria.html" />
<opus:title>How good is a Broyden-Fletcher-Goldfarb-Shanno-like update Hessian formula to locate transition structures? Specific reformulation of Broyden-Fletcher-Goldfarb-Shanno for optimizing saddle points.</opus:title>
<opus:pages>349-362</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199802)19:3&lt;349::AID-JCC8&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#AngladaB98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Williams01a">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Williams:Donald_E=.html" />
<opus:title>Improved intermolecular force field for molecules containing H, C, N, and O atoms, with application to nucleoside and peptide crystals.</opus:title>
<opus:pages>1154-1166</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1074</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Williams01a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WilliamsA99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Williams:Donald_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Abraha:Aron.html" />
<opus:title>Site charge models for molecular electrostatic potentials of cycloalkanes and tetrahedrane.</opus:title>
<opus:pages>579-585</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990430)20:6&lt;579::AID-JCC3&gt;3.0.CO;2-E</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#WilliamsA99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZhangA94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Zhenghong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Adamowicz:Ludwik.html" />
<opus:title>Explicitly Correlated Gaussian Functions with r2n, 12 Factors for Calculations of the Ground State of the Helium Atom.</opus:title>
<opus:pages>893-898</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#ZhangA94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZhangC98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Kui.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chung=Phillips:Alice.html" />
<opus:title>Conformers of gaseous protonated glycine.</opus:title>
<opus:pages>1862-1876</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199812)19:16&lt;1862::AID-JCC7&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#ZhangC98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZhangS95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Mei=Qing.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Skeel:Robert_D=.html" />
<opus:title>Symplectic Integrators and the Conservation of Angular Momentum.</opus:title>
<opus:pages>365-369</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#ZhangS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ZhangY01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Yong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/You:Xiao=Zeng.html" />
<opus:title>Charge redistribution effect on the properties of charge transfer complexes HnRXY and HnRX2 (X, Y = F, Cl, Br, I; R = O, S, N, P).</opus:title>
<opus:pages>327-338</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200102)22:3&lt;327::AID-JCC1005&gt;3.0.CO;2-Z</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#ZhangY01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Nicklaus97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nicklaus:Marc_C=.html" />
<opus:title>Conformational energies calculated by the molecular mechanics program CHARMm.</opus:title>
<opus:pages>1056-1060</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199706)18:8&lt;1056::AID-JCC9&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Nicklaus97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SuarezDM02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Su=aacute=rez:Dimas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/D=iacute=az:Natalia.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jr=:Kenneth_M=_Merz.html" />
<opus:title>Molecular dynamics simulations of the dinuclear zinc--lactamase from Bacteroides fragilis complexed with imipenem.</opus:title>
<opus:pages>1587-1600</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10157</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#SuarezDM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BartolCMZ99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bartol:Jessica.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Comba:Peter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Melter:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zimmer:Marc.html" />
<opus:title>Conformational searching of transition metal compounds.</opus:title>
<opus:pages>1549-1558</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991115)20:14&lt;1549::AID-JCC8&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#BartolCMZ99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HalaszVM99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hal=aacute=sz:G=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vib=oacute=k:=Aacute==.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mayer:I=.html" />
<opus:title>Comparison of basis set superposition error corrected perturbation theories for calculating intermolecular interaction energies.</opus:title>
<opus:pages>274-283</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990130)20:2&lt;274::AID-JCC9&gt;3.0.CO;2-Z</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#HalaszVM99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PapadakisFFF97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Papadakis:J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fanourgakis:George_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Farantos:Stavros_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Founargiotakis:M=.html" />
<opus:title>&lt;sup&gt;+&lt;/sup&gt;&lt;sub&gt;n&lt;/sub&gt;case.</opus:title>
<opus:pages>1011-1022</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199706)18:8&lt;1011::AID-JCC5&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#PapadakisFFF97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MoscardoP98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Moscard=oacute=:F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/P=eacute=rez=Jim=eacute=nez:Angel_J=.html" />
<opus:title>Self-consistent field calculations using two-body density functionals for correlation energy component: I. Atomic systems.</opus:title>
<opus:pages>1887-1898</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199812)19:16&lt;1887::AID-JCC9&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#MoscardoP98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MoskalevaL00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Moskaleva:Ludmila_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lin:Ming=Chang.html" />
<opus:title>Unimolecular isomerization/decomposition of cyclopentadienyl and related bimolecular reverse process: ab initio MO/statistical theory study.</opus:title>
<opus:pages>415-425</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000430)21:6&lt;415::AID-JCC1&gt;3.0.CO;2-6</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#MoskalevaL00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KomeijiUTSIT97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Komeiji:Yuto.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Uebayasi:Masami.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Takata:Ryo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shimizu:Akihiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Itsukashi:Keiji.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Taiji:Makoto.html" />
<opus:title>Fast and accurate molecular dynamics simulation of a protein using a special-purpose computer.</opus:title>
<opus:pages>1546-1563</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199709)18:12&lt;1546::AID-JCC11&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#KomeijiUTSIT97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/XuOWYXXSR00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xu:Y=_Z=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ouyang:Q=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wu:J=_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yorke:J=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xu:G=_X=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xu:D=_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Soloway:R=_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ren:J=_Q=.html" />
<opus:title>Using fractal to solve the multiple minima problem in molecular mechanics calculation.</opus:title>
<opus:pages>1101-1108</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200009)21:12&lt;1101::AID-JCC6&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#XuOWYXXSR00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Ribeiro-ClaroAT96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ribeiro=Claro:Paulo_J=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Amado:Ana_Margarida.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Teixeira=Dias:J=_J=_C=.html" />
<opus:title>Structures and vibrational frequencies of vanadium (V) oligomers: An ab initio study using effective core potentials.</opus:title>
<opus:pages>1183-1196</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960730)17:10&lt;1183::AID-JCC1&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#Ribeiro-ClaroAT96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Giordan98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Giordan:Marcelo.html" />
<opus:title>Pyrrolizidine alkaloids necine bases: II. Conformational analysis of free bases.</opus:title>
<opus:pages>1853-1861</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199812)19:16&lt;1853::AID-JCC6&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#Giordan98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Meirovitch02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Meirovitch:Hagai.html" />
<opus:title>Polymer collapse, protein folding, and the percolation threshold.</opus:title>
<opus:pages>166-171</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1163</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Meirovitch02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NorrbyL98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Norrby:Per=Ola.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liljefors:Tommy.html" />
<opus:title>Automated molecular mechanics parameterization with simultaneous utilization of experimental and quantum mechanical data.</opus:title>
<opus:pages>1146-1166</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980730)19:10&lt;1146::AID-JCC4&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#NorrbyL98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GranaM99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gra=ntilde=a:Ana_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mosquera:Ricardo_A=.html" />
<opus:title>Atomic and bond properties in functionalized esters and amidesThis article includes Supplementary Material available from the authors upon request or via the Internet at ftp.wiley.com/public/journals/jcc/suppmat/20/1444 or http: //journals.wiley.com/jcc/.</opus:title>
<opus:pages>1444-1454</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199910)20:13&lt;1444::AID-JCC11&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#GranaM99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KamierkiewiczLS02">
<opus:last_modified_date>2004-10-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kazmierkiewicz:Rajmund.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liwo:Adam.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:title>Energy-based reconstruction of a protein backbone from its -carbon trace by a Monte-Carlo method.</opus:title>
<opus:pages>715-723</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10068</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#KamierkiewiczLS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/David94a">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/David:Carl_W=.html" />
<opus:title>X-PLORing Extrarisomal Peptide Folding during Synthesis.</opus:title>
<opus:pages>662-665</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#David94a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BakowiesT96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bakowies:Dirk.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thiel:Walter.html" />
<opus:title>Semiempirical treatment of electrostatic potentials and partial charges in combined quantum mechanical and molecular mechanical approaches.</opus:title>
<opus:pages>87-108</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960115)17:1&lt;87::AID-JCC8&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#BakowiesT96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DavidF97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/David:Laurent.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Field:Martin_J=.html" />
<opus:title>Basis set approach to solution of poisson equation for small molecules immersed in solvent.</opus:title>
<opus:pages>343-350</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199702)18:3&lt;343::AID-JCC5&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#DavidF97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BradleyW96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bradley:R=_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Windwer:S=.html" />
<opus:title>Loop-erased self-avoiding random walks in four and five dimensions.</opus:title>
<opus:pages>1750-1756</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19961130)17:15&lt;1750::AID-JCC5&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#BradleyW96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CortisF97a">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cortis:Christian_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Friesner:Richard_A=.html" />
<opus:title>Numerical solution of the Poisson-Boltzmann equation using tetrahedral finite-element meshes.</opus:title>
<opus:pages>1591-1608</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199710)18:13&lt;1591::AID-JCC3&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#CortisF97a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BragaB96">
<opus:last_modified_date>2004-07-15</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Braga:Jo=atilde=o_Pedro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Belchior:J=_C=.html" />
<opus:title>Normalization of the Fox - Goodwin algorithm to calculate scattering matrices in an adiabatic basis at low and high collision energies.</opus:title>
<opus:pages>1559-1563</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199610)17:13&lt;1559::AID-JCC7&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#BragaB96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HarrisOL98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harris:Nathan_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ohwada:Tomohiko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lammertsma:Koop.html" />
<opus:title>Protonation enthalpies in fluorosulfonic acid using ab initio self-consistent reaction field theory.</opus:title>
<opus:pages>250-257</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980130)19:2&lt;250::AID-JCC18&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#HarrisOL98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LaValleFKL00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/LaValle:Steven_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Finn:Paul_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kavraki:Lydia_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Latombe:Jean=Claude.html" />
<opus:title>A randomized kinematics-based approach to pharmacophore-constrained conformational search and database screening.</opus:title>
<opus:pages>731-747</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000715)21:9&lt;731::AID-JCC3&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#LaValleFKL00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KlepeisFML99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Klepeis:John_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Floudas:Christodoulos_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Morikis:Dimitrios.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lambris:John_D=.html" />
<opus:title>Predicting peptide structures using NMR data and deterministic global optimization.</opus:title>
<opus:pages>1354-1370</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199910)20:13&lt;1354::AID-JCC3&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#KlepeisFML99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LaidigS96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Laidig:Keith_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Streitwieser:Andrew.html" />
<opus:title>Origins of relative acidity: First and second period hydrides.</opus:title>
<opus:pages>1771-1781</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19961130)17:15&lt;1771::AID-JCC7&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#LaidigS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AhlswedeJ99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Ahlswede:Bernd.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jug:Karl.html" />
<opus:title>Consistent modifications of SINDO1: I. Approximations and parameters.</opus:title>
<opus:pages>563-571</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990430)20:6&lt;563::AID-JCC1&gt;3.0.CO;2-2</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#AhlswedeJ99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Harrison99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harrison:Robert_W=.html" />
<opus:title>Integrating quantum and molecular mechanics.</opus:title>
<opus:pages>1618-1633</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991130)20:15&lt;1618::AID-JCC3&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Harrison99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SarmaN00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sarma:C=_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nampoothiri:A=_V=_V=.html" />
<opus:title>A labeling scheme for young tableaux spanning representations of permutation group S(N).</opus:title>
<opus:pages>185-190</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200002)21:3&lt;185::AID-JCC2&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#SarmaN00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GundertofteLNP96">
<opus:last_modified_date>2004-02-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gundertofte:Klaus.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liljefors:Tommy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Norrby:Per=Ola.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pettersson:Ingrid.html" />
<opus:title>A comparison of conformational energies calculated by several molecular mechanics methods.</opus:title>
<opus:pages>429-449</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199603)17:4&lt;429::AID-JCC5&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#GundertofteLNP96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NyulasziVER97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nyulaszi:L=aacute=szl=oacute=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/V=aacute=rnai:P=eacute=ter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eisfeld:Wolfgang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Regitz:Manfred.html" />
<opus:title>Regioselectivity in cycloaddition reaction between phosphaacetylene and diazomethane: An ab initio study.</opus:title>
<opus:pages>609-616</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970415)18:5&lt;609::AID-JCC2&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#NyulasziVER97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FraschiniS98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fraschini:Elena.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stone:Anthony_J=.html" />
<opus:title>H &#183;&#183;&#183; H model potential for exchange-repulsion energy of methane dimer.</opus:title>
<opus:pages>847-857</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199806)19:8&lt;847::AID-JCC4&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#FraschiniS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Rodriguez94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rodr=iacute=guez:Jes=uacute=s.html" />
<opus:title>Semiempirical Study of Compounds with Intramolecular O-H--O Hydrogen Bonds. II. Further Verification of a Modified MNDO Method.</opus:title>
<opus:pages>183-189</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Rodriguez94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PoaterDS01">
<opus:last_modified_date>2003-08-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Poater:Jordi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Duran:Miquel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sol=agrave=:Miquel.html" />
<opus:title>Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques.</opus:title>
<opus:pages>1666-1678</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1122</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#PoaterDS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HigoENIFESMKM94">
<opus:last_modified_date>2004-12-23</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Higo:Junichi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Endo:Shigeru.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nagayama:Kuniaki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Ito:Tomoyoshi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fukushige:Toshiyuki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Ebisuzaki:Toshikazu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sugimoto:Daiichiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miyagawa:Hiroo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kitamura:Kunihiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Makino:Junichiro.html" />
<opus:title>Application of a High-Performance, Special-Purpose Computer, GRAPE-2A, to Molecular Dynamics.</opus:title>
<opus:pages>1372-1376</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#HigoENIFESMKM94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HeadleyS00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Headley:Allan_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Starnes:Stephen_D=.html" />
<opus:title>Theoretical analysis of fluoroglycine conformers.</opus:title>
<opus:pages>426-431</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000430)21:6&lt;426::AID-JCC2&gt;3.0.CO;2-#</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#HeadleyS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TokmachevT01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tokmachev:Andrei_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tchougr=eacute=eff:Andre=igrave=_L=.html" />
<opus:title>Semiempirical implementation of strictly localized geminals for analysis of molecular electronic structure.</opus:title>
<opus:pages>752-764</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1041</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#TokmachevT01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SchwarzlTSF02">
<opus:last_modified_date>2005-01-05</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schwarzl:Sonja_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tschopp:Thomas_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:Jeremy_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fischer_0004:Stefan.html" />
<opus:title>Can the calculation of ligand binding free energies be improved with continuum solvent electrostatics and an ideal-gas entropy correction?.</opus:title>
<opus:pages>1143-1149</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10112</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#SchwarzlTSF02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GrubmullerT98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grubm=uuml=ller:Helmut.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tavan:Paul.html" />
<opus:title>Multiple time step algorithms for molecular dynamics simulations of proteins: How good are they?</opus:title>
<opus:pages>1534-1552</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199810)19:13&lt;1534::AID-JCC10&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#GrubmullerT98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AstleyBDRW98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Astley:Timothy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Birch:Gordon_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Drew:Michael_G=_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rodger:P=_Mark.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wilden:Gareth_R=_H=.html" />
<opus:title>Effect of available volumes on radial distribution functions.</opus:title>
<opus:pages>363-367</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199802)19:3&lt;363::AID-JCC9&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#AstleyBDRW98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TongD95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tong:Weida.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/D=Souza:Valerian_T=.html" />
<opus:title>The Role of the Carboxylate Ion in Models of Acyl-Chymotrypsin.</opus:title>
<opus:pages>705-714</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#TongD95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Pacios95">
<opus:last_modified_date>2005-04-05</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pacios:Luis_Fern=aacute=ndez.html" />
<opus:title>Atomic Radii Scales and Electron Properties Deduced from the Charge Density.</opus:title>
<opus:pages>133-145</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#Pacios95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HirschQ02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirsch:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/q/Quapp:Wolfgang.html" />
<opus:title>Improved RGF method to find saddle points.</opus:title>
<opus:pages>887-894</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10088</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#HirschQ02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AlcamiMY98">
<opus:last_modified_date>2004-02-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alcam=iacute=:M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/M=oacute=:Otilia.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Y=aacute==ntilde=ez:M=.html" />
<opus:title>G2 ab initio calculations on three-membered rings: Role of hydrogen atoms.</opus:title>
<opus:pages>1072-1086</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980715)19:9&lt;1072::AID-JCC8&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#AlcamiMY98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Amatatsu02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Amatatsu:Yoshiaki.html" />
<opus:title>Ab initio study on the electronic structures of styrene in the Franck-Condon region.</opus:title>
<opus:pages>928-937</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10077</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Amatatsu02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Davidson97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Davidson:Ernest_R=.html" />
<opus:title>Modern Electronic Structure Theory.</opus:title>
<opus:pages>1328</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970730)18:10&lt;1328::AID-JCC8&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Davidson97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KuritaTT94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kurita:Yasuyuki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Takayama:Chiyozo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tanaka:Shizuya.html" />
<opus:title>Decomposition Analysis of the Intermolecular Interaction Energies in Thw pi-pi Stacking Complexes: Quinhydrone and N, N, N, N-Tetramethyl-p-Diaminobenzene-Chloranil Complex.</opus:title>
<opus:pages>1013-1018</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#KuritaTT94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Torii02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Torii:Hajime.html" />
<opus:title>Intensity-carrying modes important for vibrational polarizabilities and hyperpolarizabilities of molecules: Derivation from the algebraic properties of formulas and applications.</opus:title>
<opus:pages>997-1006</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10097</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#Torii02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NogaBBBPSZ99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Noga:Jozef.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baack=yacute=:Pavol.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Biskupi:Stanislav.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Boa:Roman.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pelik=aacute=n:Peter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Svrek:Michal.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zajac:Anton.html" />
<opus:title>Approaching bulk limit for three-dimensional solids via the cyclic cluster approximation: Semiempirical INDO study.</opus:title>
<opus:pages>253-261</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990130)20:2&lt;253::AID-JCC7&gt;3.0.CO;2-9</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#NogaBBBPSZ99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RobertsonPGS97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Robertson:Struan_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pilling:Michael_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gates:Kevin_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:Sean_C=.html" />
<opus:title>Application of inverse iteration to 2-dimensional master equations.</opus:title>
<opus:pages>1004-1010</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199706)18:8&lt;1004::AID-JCC4&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#RobertsonPGS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Spackman96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Spackman:Mark_A=.html" />
<opus:title>Potential derived charges using a geodesic point selection scheme.</opus:title>
<opus:pages>1-18</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960115)17:1&lt;1::AID-JCC1&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#Spackman96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MitchellLAT99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mitchell:John_B=_O=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Laskowski:Roman_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alex:Alexander.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thornton:Janet_M=.html" />
<opus:title>BLEEP - potential of mean force describing protein-ligand interactions: I. Generating potential.</opus:title>
<opus:pages>1165-1176</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199908)20:11&lt;1165::AID-JCC7&gt;3.0.CO;2-A</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#MitchellLAT99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MitinHB97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mitin:Alexander_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirsch:Gerhard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Buenker:Robert_J=.html" />
<opus:title>Accurate atomic Gaussian basis functions for second-row atoms: Small split-valence 3-21SP and 4-22SP basis sets.</opus:title>
<opus:pages>1200-1210</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970715)18:9&lt;1200::AID-JCC8&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#MitinHB97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ReindlS98">
<opus:last_modified_date>2004-09-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reindl:Bernd.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schleyer:Paul_von_Ragu=eacute=.html" />
<opus:title>Molecular mechanics and ab initio calculations on cyclopentadienyl cations.</opus:title>
<opus:pages>1402-1420</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199809)19:12&lt;1402::AID-JCC7&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#ReindlS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CioslowskiS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cioslowski:Jerzy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Szarecka:Agnieszka.html" />
<opus:title>First-principles conformational analysis of the C36H36 spheriphane, a prototype hydrocarbon host cage.</opus:title>
<opus:pages>1279-1286</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1085</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#CioslowskiS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KumarPV96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kumar:Shankar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Payne:Philip_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/V=aacute=squez:Maximiliano.html" />
<opus:title>Method for free-energy calculations using iterative techniques.</opus:title>
<opus:pages>1269-1275</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960730)17:10&lt;1269::AID-JCC7&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#KumarPV96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MapleHSDWEH94">
<opus:last_modified_date>2004-09-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maple:J=_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hwang:Ming=Jing.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stockfisch:Thomas_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dinur:Uri.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Waldman:M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Ewig:Carl_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hagler:Arnold_T=.html" />
<opus:title>Derication of Class II Force Fields. I. Methology and Quantum Force Field for the Alkyl Functional Group and Alkane Molecules.</opus:title>
<opus:pages>162-182</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#MapleHSDWEH94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GreshSK95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gresh:Nohad.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stewens:Walter_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Krauss:Morris.html" />
<opus:title>&lt;sup&gt;2+&lt;/sup&gt;: An Ab Initio Analysis of the Metal-Ligand Interaction Energy.</opus:title>
<opus:pages>843-855</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#GreshSK95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Kliesch01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kliesch:Wolfgang.html" />
<opus:title>EQUIPATH - an equilibrial path tracing routine for the use with the program package GAUSSIAN94.</opus:title>
<opus:pages>1801-1816</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1132</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Kliesch01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Dillen95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dillen:Jan_L=_M=.html" />
<opus:title>An Empirical Force Field I. Alkanes.</opus:title>
<opus:pages>595-609</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#Dillen95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HuberT99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Huber:Thomas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Torda:Andrew_E=.html" />
<opus:title>Protein sequence threading, the alignment problem, and a two-step strategy.</opus:title>
<opus:pages>1455-1467</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991115)20:14&lt;1455::AID-JCC1&gt;3.0.CO;2-D</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#HuberT99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AzevedoNSOB96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Azevedo:Ana_Luiza_M=_S=_de.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Neto:Ben=iacute=cio_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scarminio:Ieda_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oliveira:Anselmo_E=_de.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bruns:Roy_E=.html" />
<opus:title>A chemometric analysis of ab initio vibrational frequencies and infrared intensities of methyl fluoride.</opus:title>
<opus:pages>167-177</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960130)17:2&lt;167::AID-JCC4&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#AzevedoNSOB96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TaoDLLHS01">
<opus:last_modified_date>2004-12-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tao:Yu=Guo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Ding:Yi=Hong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Jian=Jun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Li:Ze=Sheng.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Huang:Xu=Ri.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sun:Chia=Chung.html" />
<opus:title>Theoretical study on reaction mechanism of the CF radical with nitrogen dioxide.</opus:title>
<opus:pages>1907-1919</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1141</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#TaoDLLHS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SauerS00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sauer:Joachim.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sierka:Marek.html" />
<opus:title>Combining quantum mechanics and interatomic potential functions in ab initio studies of extended systems.</opus:title>
<opus:pages>1470-1493</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200012)21:16&lt;1470::AID-JCC5&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#SauerS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FraczkiewiczB98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fraczkiewicz:Robert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Braun:Werner.html" />
<opus:title>Exact and efficient analytical calculation of the accessible surface areas and their gradients for macromolecules.</opus:title>
<opus:pages>319-333</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199802)19:3&lt;319::AID-JCC6&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#FraczkiewiczB98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BlomgrenLN01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Blomgren:Fredrik.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Larsson:Sven.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nelsen:Stephen_F=.html" />
<opus:title>Electron transfer in bis(hydrazines), a critical test for application of the Marcus model.</opus:title>
<opus:pages>655-664</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1034</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#BlomgrenLN01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/TorrensSN01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Torrens:Francisco.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/S=aacute=nchez=Mar=iacute=n:Jos=eacute=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nebot=Gil:Ignacio.html" />
<opus:title>New dimension indices for the characterization of the solvent-accessible surface.</opus:title>
<opus:pages>477-487</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010415)22:5&lt;477::AID-JCC1019&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#TorrensSN01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CruzLSCU97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cruz:Elso_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lopez:Xabier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sarobe:Mart=iacute=n.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Coss=iacute=o:Fernando_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Ugalde:Jesus_M=.html" />
<opus:title>G2 study of triplet [H4, Si, P]+ potential energy surface: Mechanism for reaction of P+ (3P) with silane.</opus:title>
<opus:pages>9-19</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970115)18:1&lt;9::AID-JCC2&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#CruzLSCU97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Klopper97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Klopper:Wim.html" />
<opus:title>Simple recipe for implementing computation of first-order relativistic corrections to electron correlation energies in framework of direct perturbation theory.</opus:title>
<opus:pages>20-27</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970115)18:1&lt;20::AID-JCC3&gt;3.0.CO;2-1</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Klopper97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NakajimaTK96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakajima:Hideo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Takahashi:Ohgi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kikuchi:Osamu.html" />
<opus:title>Rapid evaluation of molecular electrostatic potential maps for amino acids, peptides, and proteins by empirical functions.</opus:title>
<opus:pages>790-805</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199605)17:7&lt;790::AID-JCC4&gt;3.0.CO;2-N</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#NakajimaTK96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NakajimaYH02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakajima:Takahito.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yanai:Takeshi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirao:Kimihiko.html" />
<opus:title>Relativistic electronic structure theory.</opus:title>
<opus:pages>847-860</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10059</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#NakajimaYH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JenkinsJKPS00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jenkins:H=_Donald_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jitariu:Luminita_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Krossing:Ingo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Passmore:Jack.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Suontamo:Reijo.html" />
<opus:title>Basis set and correlation effects in the calculation of accurate gas phase dimerization energies of two M+2 to give M2+4 (M = S, Se).</opus:title>
<opus:pages>218-226</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200002)21:3&lt;218::AID-JCC5&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#JenkinsJKPS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MarechalBMLMP00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mar=eacute=chal:Jean=Didier.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barea:Guada.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maseras:Feliu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lled=oacute=s:Agust=iacute=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mouawad:Liliane.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/P=eacute=rahia:David.html" />
<opus:title>Theoretical modeling of the heme group with a hybrid QM/MM method.</opus:title>
<opus:pages>282-294</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200003)21:4&lt;282::AID-JCC4&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#MarechalBMLMP00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LopezRMS99">
<opus:last_modified_date>2005-11-02</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/L=oacute=pez:Ram=oacute=n.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/R=iacute=o:E=_Del.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rodr=iacute=guez:Mar=iacute=a_Isabel_Men=eacute=ndez.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sordo:Tom=aacute=s_Luis.html" />
<opus:title>Ab initio study of the reaction of CHO+ with H2O and NH3.</opus:title>
<opus:pages>1432-1443</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199910)20:13&lt;1432::AID-JCC10&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#LopezRMS99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PavelitesGBM97">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pavelites:Joseph_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gao:Jiali.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bash:Paul_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jr=:Alexander_D=_MacKerell.html" />
<opus:title>A molecular mechanics force field for NAD+ NADH, and the pyrophosphate groups of nucleotides.</opus:title>
<opus:pages>221-239</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970130)18:2&lt;221::AID-JCC7&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#PavelitesGBM97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LopezSSS96">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/L=oacute=pez:Ram=oacute=n.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sordo:Jos=eacute=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sordo:Tom=aacute=s_Luis.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schleyer:Paul_von_Ragu=eacute=.html" />
<opus:title>Ab initio study of the formation of C3H3+ from the reaction of CH3+ with acetylene.</opus:title>
<opus:pages>905-909</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199605)17:7&lt;905::AID-JCC13&gt;3.0.CO;2-9</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#LopezSSS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Pullan97">
<opus:last_modified_date>2003-05-13</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pullan:Wayne_J=.html" />
<opus:title>Energy minimization of mixed argon-xenon microclusters using a genetic algorithm.</opus:title>
<opus:pages>1096-1111</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199706)18:8&lt;1096::AID-JCC13&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Pullan97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MaserasM95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maseras:Feliu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Morokuma:Keiji.html" />
<opus:title>IMOMM: A New Integrated Ab Initio + Molecular Mechanics Geometry Optimization Scheme of Equilibrium Structures and Transition States.</opus:title>
<opus:pages>1170-1179</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#MaserasM95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JakliPFCSC00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/J=aacute=kli:Imre.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Perczel:Andr=aacute=s.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Farkas:=Ouml=d=ouml=n.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cs=aacute=sz=aacute=r:Attila_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sosa:Carlos_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Csizmadia:Imre_G=.html" />
<opus:title>Peptide models XXIII. Conformational model for polar side-chain containing amino acid residues: A comprehensive analysis of RHF, DFT, and MP2 properties of HCO-L-SER-NH2 .</opus:title>
<opus:pages>626-655</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200006)21:8&lt;626::AID-JCC4&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#JakliPFCSC00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChipotKP96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chipot:Christophe.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollman:Peter_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pearlman:David_A=.html" />
<opus:title>Alternative approaches to potential of mean force calculations: Free energy perturbation versus thermodynamic integration. Case study of some representative nonpolar interactions.</opus:title>
<opus:pages>1112-1131</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960715)17:9&lt;1112::AID-JCC4&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#ChipotKP96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FeldgusLGW00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Feldgus:Steven.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Landis:Clark_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Glendening:Eric_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Weinhold:Frank.html" />
<opus:title>Natural resonance theory. I. General formalism.</opus:title>
<opus:pages>411-413</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000415)21:5&lt;411::AID-JCC7&gt;3.0.CO;2-4</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#FeldgusLGW00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NingQ99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Ning:Xi=Jing.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/q/Qin:Qi=Zong.html" />
<opus:title>Molecular dynamics simulation of O3 photolysis by ultraviolet light in solid argon.</opus:title>
<opus:pages>623-628</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990430)20:6&lt;623::AID-JCC8&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#NingQ99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GreshG96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gresh:Nohad.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Garmer:David_R=.html" />
<opus:title>Comparative binding energetics of Mg2+, Ca2+, Zn2+, and Cd2+ to biologically relevant ligands: Combined ab initio SCF supermolecule and molecular mechanics investigation.</opus:title>
<opus:pages>1481-1495</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199609)17:12&lt;1481::AID-JCC7&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#GreshG96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ClampBSB94">
<opus:last_modified_date>2004-02-20</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Clamp:Michele_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baker:P=_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stirling:C=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brass:A=.html" />
<opus:title>Hybrid Monte Carlo: An Efficient Algorithm for Condensed Matter Simulation.</opus:title>
<opus:pages>838-846</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#ClampBSB94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LinnolahtiHP01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Linnolahti:Mikko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirva:Pipsa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pakkanen:Tapani_A=.html" />
<opus:title>Geometry prediction of bridged zirconocene dichlorides by quantum chemical methods.</opus:title>
<opus:pages>51-64</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010115)22:1&lt;51::AID-JCC6&gt;3.0.CO;2-6</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#LinnolahtiHP01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/X04">
<opus:last_modified_date>2004-09-07</opus:last_modified_date>
<opus:title>Publisher&apos;s note: Sir John A. Pople, 1925-2004.</opus:title>
<opus:pages>1108</opus:pages>
<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.20049</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc25.html#X04</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Muegge01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Muegge:Ingo.html" />
<opus:title>Effect of ligand volume correction on PMF scoring.</opus:title>
<opus:pages>418-425</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200103)22:4&lt;418::AID-JCC1012&gt;3.0.CO;2-3</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Muegge01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RauhutJP97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rauhut:Guntram.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jarzecki:Andrzej_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pulay:Peter.html" />
<opus:title>Density functional based vibrational study of conformational isomers: Molecular rearrangement of benzofuroxan.</opus:title>
<opus:pages>489-500</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199703)18:4&lt;489::AID-JCC4&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#RauhutJP97</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ElezgarayS00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Elezgaray:Juan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sanejouand:Yves=Henri.html" />
<opus:title>Modal dynamics of proteins in water.</opus:title>
<opus:pages>1274-1282</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20001115)21:14&lt;1274::AID-JCC6&gt;3.0.CO;2-7</opus:ee>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pulay:Peter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Werner:Hans=Joachim.html" />
<opus:title>Integral transformation with low-order scaling for large local second-order M&#248;ller-Plesset calculations.</opus:title>
<opus:pages>1241-1254</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199808)19:11&lt;1241::AID-JCC4&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#RauhutPW98</rdfs:seeAlso>
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<opus:last_modified_date>2003-03-31</opus:last_modified_date>
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<opus:title>Numerical comparisons of three recently proposed algorithms in the protein folding problem.</opus:title>
<opus:pages>920-933</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199705)18:7&lt;920::AID-JCC5&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#HansmannO97</rdfs:seeAlso>
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<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dinner:Aaron_R=.html" />
<opus:title>Local deformations of polymers with nonplanar rigid main-chain internal coordinates.</opus:title>
<opus:pages>1132-1144</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200010)21:13&lt;1132::AID-JCC2&gt;3.0.CO;2-5</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#Dinner00</rdfs:seeAlso>
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<opus:last_modified_date>2003-04-03</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carey:Christina.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chirlian:Lisa_Emily.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gange:David_M=.html" />
<opus:title>Charges fit to electrostatic potentials. II. Can atomic charges be unambiguously fit to electrostatic potentials?</opus:title>
<opus:pages>367-383</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199602)17:3&lt;367::AID-JCC11&gt;3.0.CO;2-H</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#FranclCCG96</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Falk:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Spierenburg:Peter_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Walter:John_A=.html" />
<opus:title>Determination of the stereochemistry of natural products from nuclear magnetic resonance data by constrained molecular dynamics.</opus:title>
<opus:pages>409-417</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199603)17:4&lt;409::AID-JCC3&gt;3.0.CO;2-Y</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#FalkSW96</rdfs:seeAlso>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pacchioni:Gianfranco.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Ferrari:Anna_Maria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/M=aacute=rquez:Antonio_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Illas:Francesc.html" />
<opus:title>Importance of Madelung potential in quantum chemical modeling of ionic surfaces.</opus:title>
<opus:pages>617-628</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970415)18:5&lt;617::AID-JCC3&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#PacchioniFMI97</rdfs:seeAlso>
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<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kinoshita:Masahiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Okamoto:Yuko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirata:Fumio.html" />
<opus:title>Calculation of hydration free energy for a solute with many atomic sites using the RISM theory: A robust and efficient algorithm.</opus:title>
<opus:pages>1320-1326</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970730)18:10&lt;1320::AID-JCC6&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#KinoshitaOH97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KinoshitaOH98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kinoshita:Masahiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Okamoto:Yuko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirata:Fumio.html" />
<opus:title>Calculation of solvation free energy using RISM theory for peptide in salt solution.</opus:title>
<opus:pages>1724-1735</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981130)19:15&lt;1724::AID-JCC5&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#KinoshitaOH98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JanezicVK95">
<opus:last_modified_date>2005-04-21</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Janezic:Dusanka.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Venable:Richard_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karplus:Martin.html" />
<opus:title>Harmonic Analysis of Large Systems. III. Comparison with Molecular Dynamics.</opus:title>
<opus:pages>1554-1568</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#JanezicVK95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BergerK97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berger:Robert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Klessinger:Martin.html" />
<opus:title>Algorithms for exact counting of energy levels of spectroscopic transitions at different temperatures.</opus:title>
<opus:pages>1312-1319</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970730)18:10&lt;1312::AID-JCC5&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#BergerK97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Jensen94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jensen:Frank.html" />
<opus:title>Transition Structure Modeling by Intersecting Potetntial Energy Surfaces.</opus:title>
<opus:pages>1199-1216</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Jensen94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Garcia-CruzRAV99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Garc=iacute=a=Cruz:Isidoro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruiz=Santoyo:M=_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alvarez=Idaboy:J=_Ra=uacute=l.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vivier=Bunge:Annik.html" />
<opus:title>Ab-initio study of initial atmospheric oxidation reactions of C3 and C4 alkanes.</opus:title>
<opus:pages>845-856</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199906)20:8&lt;845::AID-JCC9&gt;3.0.CO;2-3</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#Garcia-CruzRAV99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KristyanC01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kristy=aacute=n:S=aacute=ndor.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Csonka:G=aacute=bor_I=.html" />
<opus:title>Fitting atomic correlation parameters for RECEP (rapid estimation of correlation energy from partial charges) method to estimate molecular correlation energies within chemical accuracy.</opus:title>
<opus:pages>241-254</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010130)22:2&lt;241::AID-JCC11&gt;3.0.CO;2-C</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#KristyanC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ReddyEAVMS98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reddy:M=_Rami.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Erion:Mark_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Agarwal:Atul.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Viswanadhan:Vellarkad_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McDonald:D=_Quentin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Still:W=_Clark.html" />
<opus:title>Solvation free energies calculated using the GB/SA model: Sensitivity of results on charge sets, protocols, and force fields.</opus:title>
<opus:pages>769-780</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199805)19:7&lt;769::AID-JCC7&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#ReddyEAVMS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DinurH94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dinur:Uri.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hagler:Arnold_T=.html" />
<opus:title>On the FUnctional Representation of Bond Energy Functions.</opus:title>
<opus:pages>919-924</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#DinurH94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DinurH95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dinur:U=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hagler:A=_T=.html" />
<opus:title>Geomerty-Dependent Atomic Charges: Methodology and Application to Alkanes, Aldehydes, Ketones, and Amides.</opus:title>
<opus:pages>154-170</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#DinurH95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MestresRM97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mestres:Jordi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rohrer:Douglas_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maggiora:Gerald_M=.html" />
<opus:title>MIMIC: A molecular-field matching program. Exploiting applicability of molecular similarity approaches.</opus:title>
<opus:pages>934-954</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199705)18:7&lt;934::AID-JCC6&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#MestresRM97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WangFHP01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wang:Bing.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fleischer:Ulrich.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hinton:James_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pulay:Peter.html" />
<opus:title>Accurate prediction of proton chemical shifts. I. Substituted aromatic hydrocarbons.</opus:title>
<opus:pages>1887-1895</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1139</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#WangFHP01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LeachK95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leach:Andrew_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Klein:Teri_E=.html" />
<opus:title>A Molecualr Dynamics Study of the Inhibition of Chicken Dihydrofolate Reductase by a Phenyl Triazine.</opus:title>
<opus:pages>1378-1393</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#LeachK95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LeachL94">
<opus:last_modified_date>2004-02-17</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leach:Andrew_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lewis:Richard_A=.html" />
<opus:title>A Ring-Bracing Approach to Computer-Assisted Ligand Design.</opus:title>
<opus:pages>233-240</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#LeachL94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MassovaK02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Massova:Irina.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollman:Peter_A=.html" />
<opus:title>pKa, MM, and QM studies of mechanisms of -lactamases and penicillin-binding proteins: Acylation step.</opus:title>
<opus:pages>1559-1576</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10129</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#MassovaK02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/UmedaKNS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Umeda:Hiroaki.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Koseki:Shiro.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nagashima:Umpei.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schmidt:Michael_W=.html" />
<opus:title>Parallelization of multireference perturbation calculations with GAMESS.</opus:title>
<opus:pages>1243-1251</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1081</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#UmedaKNS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PomelliT98">
<opus:last_modified_date>2004-12-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pomelli:Christian_Silvio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tomasi:Jacopo.html" />
<opus:title>DefPol: New procedure to build molecular surfaces and its use in continuum solvation methods.</opus:title>
<opus:pages>1758-1776</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981130)19:15&lt;1758::AID-JCC8&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#PomelliT98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HabibollahzadehGCMP95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Habibollahzadeh:Dariush.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grice:M=_Edward.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Concha:Monica_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Murray:Jane_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Politzer:Peter.html" />
<opus:title>Nonlocal Density Functional Calculation of Gas Phase Heats of Formation.</opus:title>
<opus:pages>654-658</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#HabibollahzadehGCMP95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MarsalR02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Marsal:Philippe.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roche:Michel.html" />
<opus:title>Variational treatment of the vibrational Hamiltonian for NH3 and H2NO.</opus:title>
<opus:pages>541-547</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10033</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#MarsalR02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Bersuker97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bersuker:Isaac_B=.html" />
<opus:title>Limitations of density functional theory in application to degenerate states.</opus:title>
<opus:pages>260-267</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970130)18:2&lt;260::AID-JCC10&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#Bersuker97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiuDTFS02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liu:Jian=Jun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Ding:Yi=Hong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tao:Yu=Guo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Feng:Ji=Kang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sun:Chia=Chung.html" />
<opus:title>Theoretical study on the mechanism of the 1CHCl + NO reaction.</opus:title>
<opus:pages>625-649</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10057</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#LiuDTFS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KdzierskiSK00">
<opus:last_modified_date>2004-09-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kdzierski:Pawel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sokalski:W=_Andrzej.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Krauss:Morris.html" />
<opus:title>Nonempirical analysis of nature of catalytic effects in ribonuclease A active site.</opus:title>
<opus:pages>432-445</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000430)21:6&lt;432::AID-JCC3&gt;3.0.CO;2-7</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#KdzierskiSK00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LimBIMVDTG97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lim:Kian=Tat.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brunett:Sharon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Iotov:Mihail.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McClurg:Richard_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vaidehi:Nagarajan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dasgupta:Siddharth.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Taylor:Stephen.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/III:William_A=_Goddard.html" />
<opus:title>Molecular dynamics for very large systems on massively parallel computers: The MPSim program.</opus:title>
<opus:pages>501-521</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199703)18:4&lt;501::AID-JCC5&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#LimBIMVDTG97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KolleJ97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/K=ouml=lle:Christian.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jug:Karl.html" />
<opus:title>Solvation effects in SINDO1: Application to organic molecules.</opus:title>
<opus:pages>1-8</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970115)18:1&lt;1::AID-JCC1&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#KolleJ97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/YanagisawaTH01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yanagisawa:Susumu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tsuneda:Takao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirao:Kimihiko.html" />
<opus:title>Investigation of the use of density functionals in second- and third-row transition metal dimer calculations.</opus:title>
<opus:pages>1995-2009</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1148</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#YanagisawaTH01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GoldsteinHT98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Goldstein:E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Haught:M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tang:Y=.html" />
<opus:title>Evaluation of density functional theory in the bond rupture of octane.</opus:title>
<opus:pages>154-167</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980130)19:2&lt;154::AID-JCC8&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#GoldsteinHT98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JongejanJH01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jongejan:A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jongejan:J=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hagen:W=_R=.html" />
<opus:title>Direct hydride transfer in the reaction mechanism of quinoprotein alcohol dehydrogenases: a quantum mechanical investigation.</opus:title>
<opus:pages>1732-1749</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1128</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#JongejanJH01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/DijkstraL01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dijkstra:Fokke.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lenthe:Joop_H=_van.html" />
<opus:title>Software news and updates.</opus:title>
<opus:pages>665-672</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1035</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#DijkstraL01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RaymondW99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Raymond:Kevin_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wheeler:Ralph_A=.html" />
<opus:title>Compatibility of correlation-consistent basis sets with a hybrid Hartree-Fock/density functional method.</opus:title>
<opus:pages>207-216</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990130)20:2&lt;207::AID-JCC3&gt;3.0.CO;2-E</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#RaymondW99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChesnutB96">
<opus:last_modified_date>2004-12-14</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chesnut:D=_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Byrd:Edward_F=_C=.html" />
<opus:title>Accurate estimation of correlation energies using locally dense basis sets.</opus:title>
<opus:pages>1431-1443</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199609)17:12&lt;1431::AID-JCC4&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#ChesnutB96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChesnutD97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chesnut:D=_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Davis:K=_M=.html" />
<opus:title>Resonance revisited: A consideration of the calculation of cyclic conjugation energies.</opus:title>
<opus:pages>584-593</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199703)18:4&lt;584::AID-JCC11&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#ChesnutD97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChengDDELM02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cheng:Ailan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Diller:David_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dixon:Steven_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Egan:William_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lauri:George.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jr=:Kenneth_M=_Merz.html" />
<opus:title>Computation of the physio-chemical properties and data mining of large molecular collections.</opus:title>
<opus:pages>172-183</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1164</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#ChengDDELM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SulzbachVSGSS97">
<opus:last_modified_date>2004-09-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sulzbach:Horst_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vacek:George.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schreiner:Peter_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Galbraith:John_Morrison.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schleyer:Paul_von_Ragu=eacute=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/III:Henry_F=_Schaefer.html" />
<opus:title>NMR chemical shielding surface of N-Acetyl-N-Methylalaninamide: A density functional study.</opus:title>
<opus:pages>126-138</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970115)18:1&lt;126::AID-JCC12&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#SulzbachVSGSS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LiwoOPWRS97">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liwo:Adam.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oldziej:Stanislaw.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pincus:Matthew_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wawak:Ryszard_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rackovsky:Shelly.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:title>A united-residue force field for off-lattice protein-structure simulations. I. Functional forms and parameters of long-range side-chain interaction potentials from protein crystal data.</opus:title>
<opus:pages>849-873</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199705)18:7&lt;849::AID-JCC1&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#LiwoOPWRS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MagnusonP98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Magnuson:Eric_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pranata:Julianto.html" />
<opus:title>Theoretical study of 1, 3-dipolar cycloadditions of nitrone and fulminic acid with substituted ethylenes.</opus:title>
<opus:pages>1795-1804</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199812)19:16&lt;1795::AID-JCC1&gt;3.0.CO;2-G</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#MagnusonP98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RitchieC95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ritchie:James_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Compenhaver:Ann_S=.html" />
<opus:title>Comparison of Potential-Derived Charge and Atomic Multipole Models in Calculating Electrostatic Potentials and Energies of Some Muleic Acid Bases and Pairs.</opus:title>
<opus:pages>777-790</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#RitchieC95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RitchieK99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ritchie:David_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kemp:Graham_J=_L=.html" />
<opus:title>Fast computation, rotation, and comparison of low resolution spherical harmonic molecular surfaces.</opus:title>
<opus:pages>383-395</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199903)20:4&lt;383::AID-JCC1&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#RitchieK99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AcioliS99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Acioli:Paulo_Hora.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Silva:Geraldo_Magela_E=.html" />
<opus:title>Investigating charge transport in molecular switches with neural networks.</opus:title>
<opus:pages>1060-1066</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990730)20:10&lt;1060::AID-JCC8&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#AcioliS99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ScheinerBA97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheiner:Andrew_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baker:Jon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Andzelm:Jan_W=.html" />
<opus:title>Molecular energies and properties from density functional theory: Exploring basis set dependence of Kohn - Sham equation using several density functionals.</opus:title>
<opus:pages>775-795</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970430)18:6&lt;775::AID-JCC4&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#ScheinerBA97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChandrasekharSJ01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chandrasekhar:Jayaraman.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Saunders:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jorgensen:William_L=.html" />
<opus:title>Efficient exploration of conformational space using the stochastic search method: application to -peptide oligomers.</opus:title>
<opus:pages>1646-1654</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1120</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#ChandrasekharSJ01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NissinkVKMK97">
<opus:last_modified_date>2006-01-25</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nissink:J=_W=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Verdonk:Marcel_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kroon:Jan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mietzner:Thomas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Klebe:Gerhard.html" />
<opus:title>Superposition of molecules: Electron density fitting by application of fourier transforms.</opus:title>
<opus:pages>638-645</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970415)18:5&lt;638::AID-JCC5&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#NissinkVKMK97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SilvaS02">
<opus:last_modified_date>2004-02-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Silva:Andre_Elvas_Pereira_Da.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Silva:Geraldo_Magela_E=.html" />
<opus:title>Quantum bits with polyacetylene.</opus:title>
<opus:pages>870-873</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10073</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#SilvaS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BickelhauptSS95">
<opus:last_modified_date>2003-08-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bickelhaupt:F=_Matthias.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sol=agrave=:Miquel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schleyer:Paul_von_Ragu=eacute=.html" />
<opus:title>&lt;sub&gt;2&lt;/sub&gt;&lt;sub&gt;3&lt;/sub&gt;.</opus:title>
<opus:pages>465-477</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#BickelhauptSS95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WilsonAWSS97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wilson:Mark_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allen:Michael_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Warren:Mark_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sauron:Alain.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:William.html" />
<opus:title>Replicated data and domain decomposition molecular dynamics techniques for simulation of anisotropic potentials.</opus:title>
<opus:pages>478-488</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199703)18:4&lt;478::AID-JCC3&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#WilsonAWSS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RepaskyCJ02a">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Repasky:Matthew_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chandrasekhar:Jayaraman.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jorgensen:William_L=.html" />
<opus:title>PDDG/PM3 and PDDG/MNDO: Improved semiempirical methods.</opus:title>
<opus:pages>1601-1622</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10162</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#RepaskyCJ02a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KamiyaH01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kamiya:Narutoshi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Higo:Junichi.html" />
<opus:title>Repeated-annealing sampling combined with multicanonical algorithm for conformational sampling of bio-molecules.</opus:title>
<opus:pages>1098-1106</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1069</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#KamiyaH01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Grimme94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grimme:Stefan.html" />
<opus:title>MRD-CI Studies of Vertical Excitation Energies of Unsaturated Hydrocarbon Molecules.</opus:title>
<opus:pages>424-432</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Grimme94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PearlZBM98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pearl:Greg_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zerner:M=_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Broo:Anders.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McKelvey:John.html" />
<opus:title>Method of calculating band shape for molecular electronic spectra.</opus:title>
<opus:pages>781-796</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199805)19:7&lt;781::AID-JCC8&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#PearlZBM98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LlanoM96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Llano:Jorge.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Montero:Luis_A=.html" />
<opus:title>Bonding contribution to restricted internal rotations in saccharides.</opus:title>
<opus:pages>1371-1384</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199608)17:11&lt;1371::AID-JCC10&gt;3.0.CO;2-Q</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#LlanoM96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Magnusson95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Magnusson:Eric.html" />
<opus:title>&lt;sub&gt;2&lt;/sub&gt;&lt;sub&gt;3&lt;/sub&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;sub&gt;3&lt;/sub&gt;, and Related Liquids.</opus:title>
<opus:pages>1027-1038</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#Magnusson95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ForesterS00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Forester:Timothy_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:William.html" />
<opus:title>SHAKE, rattle, and roll: Efficient constraint algorithms for linked rigid bodies.</opus:title>
<opus:pages>157</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(20000130)21:2&lt;157::AID-JCC7&gt;3.0.CO;2-2</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#ForesterS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ForesterS98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Forester:Timothy_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smith:William.html" />
<opus:title>SHAKE, rattle, and roll: Efficient constraint algorithms for linked rigid bodies.</opus:title>
<opus:pages>102-111</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980115)19:1&lt;102::AID-JCC9&gt;3.0.CO;2-T</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#ForesterS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GallicchioZL02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gallicchio:Emilio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhang:Linda_Yu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Levy:Ronald_M=.html" />
<opus:title>The SGB/NP hydration free energy model based on the surface generalized born solvent reaction field and novel nonpolar hydration free energy estimators.</opus:title>
<opus:pages>517-529</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10045</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#GallicchioZL02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ExnerKB02a">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Exner:Thomas_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Keil:Matthias.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brickmann:J=uuml=rgen.html" />
<opus:title>Pattern recognition strategies for molecular surfaces. II. Surface complementarity.</opus:title>
<opus:pages>1188-1197</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10087</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#ExnerKB02a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/EbelGSG00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Ebel:Denton_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Ghiorso:Mark_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sack:Richard_O=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grossman:Lawrence.html" />
<opus:title>Gibbs energy minimization in gas + liquid + solid systems.</opus:title>
<opus:pages>247-256</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200003)21:4&lt;247::AID-JCC1&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#EbelGSG00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HoriDOOT02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hori:Kenzi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dou:Nobumitsu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Okano:Katsuhiko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ohgami:Ai.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tsukube:Hiroshi.html" />
<opus:title>Stable conformations of 12-crown-O3N and its Li+ complex in aqueous solution.</opus:title>
<opus:pages>1226-1235</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10110</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#HoriDOOT02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Masamura01a">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Masamura:Masao.html" />
<opus:title>Ab initio molecular orbital study on the structures and energetics of CH3OH(H2O)n and CH3SH(H2O)n in the gas phase.</opus:title>
<opus:pages>125-131</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(20010115)22:1&lt;125::AID-JCC12&gt;3.0.CO;2-0</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Masamura01a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/MasamuraI99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Masamura:Masao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Ikuta:Shigeru.html" />
<opus:title>Ab initio molecular orbital study on structures and energetics of CH3O-(H2O)n and CH3S-(H2O)n in gas phase.</opus:title>
<opus:pages>1138-1144</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199908)20:11&lt;1138::AID-JCC4&gt;3.0.CO;2-D</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#MasamuraI99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PangPXP01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pang:Yuan=Ping.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Perola:Emanuele.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/x/Xu:Kun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Prendergast:Franklyn_G=.html" />
<opus:title>EUDOC: a computer program for identification of drug interaction sites in macromolecules and drug leads from chemical databases.</opus:title>
<opus:pages>1750-1771</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1129</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#PangPXP01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Karafiloglou01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karafiloglou:Padeleimon.html" />
<opus:title>A method to calculate the weights of nbo electronic structures from Moffitt&apos;s theorem.</opus:title>
<opus:pages>306-315</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200102)22:3&lt;306::AID-JCC1003&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Karafiloglou01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LamprechtL00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lamprecht:Delanie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lamprecht:Gert_J=.html" />
<opus:title>A molecular mechanics force field for rhodium(I) carbonyl phosphine complexes and its application on the oxidative addition reactions of these complexes.</opus:title>
<opus:pages>692-703</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(200006)21:8&lt;692::AID-JCC8&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#LamprechtL00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChaumontW02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chaumont:Alain.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wipff:Georges.html" />
<opus:title>Macrotricyclic quaternary tetraammonium receptors: Halide anion recognition and interfacial activity at an aqueous interface. A molecular dynamics investigation.</opus:title>
<opus:pages>1532-1543</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>16</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10099</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#ChaumontW02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GlennonZGSM94">
<opus:last_modified_date>2005-03-01</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Glennon:Timothy_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zheng:Ya=Jun.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grand:Scott_M=_Le.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shutzberg:Brad_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jr=:Kenneth_M=_Merz.html" />
<opus:title>A Force Field for Monosaccharides and (1-&gt;4) Linked Polysaccharides.</opus:title>
<opus:pages>1019-1040</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#GlennonZGSM94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Amisaki00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Amisaki:Takashi.html" />
<opus:title>Precise and efficient Ewald summation for periodic fast multipole method.</opus:title>
<opus:pages>1075-1087</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200009)21:12&lt;1075::AID-JCC4&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#Amisaki00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SenderowitzS98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Senderowitz:Hanoch.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Still:W=_Clark.html" />
<opus:title>Sampling potential energy surface of glycyl glycine peptide: Comparison of Metropolis Monte Carlo and stochastic dynamics.</opus:title>
<opus:pages>1294-1299</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199808)19:11&lt;1294::AID-JCC9&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#SenderowitzS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/CastanoPFL02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Casta=ntilde=o:Obis.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Palmeiro:Ra=uacute=l.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Frutos:Luis_Manuel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Luisandr=eacute=s:Jos=eacute=.html" />
<opus:title>Role of bifurcation in the bond shifting of cyclooctatetraene.</opus:title>
<opus:pages>732-736</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10013</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#CastanoPFL02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AngladaBBC01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Anglada:Josep_Maria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Besal=uacute=:Emili.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bofill:Josep_Maria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Crehuet:Ramon.html" />
<opus:title>On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states.</opus:title>
<opus:pages>387-406</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200103)22:4&lt;387::AID-JCC1010&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#AngladaBBC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/AngladaBBC99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Anglada:Josep_Maria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Besal=uacute=:Emili.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bofill:Josep_Maria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Crehuet:Ramon.html" />
<opus:title>Prediction of approximate transition states by Bell-Evans-Polanyi principle: I.</opus:title>
<opus:pages>1112-1129</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199908)20:11&lt;1112::AID-JCC2&gt;3.0.CO;2-2</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#AngladaBBC99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BaroneCT98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barone:Vincenzo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cossi:Maurizio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tomasi:Jacopo.html" />
<opus:title>Geometry optimization of molecular structures in solution by the polarizable continuum model.</opus:title>
<opus:pages>404-417</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199803)19:4&lt;404::AID-JCC3&gt;3.0.CO;2-W</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#BaroneCT98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SmondyrevB99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smondyrev:Alexander_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berkowitz:Max_L=.html" />
<opus:title>United atom force field for phospholipid membranes: Constant pressure molecular dynamics simulation of dipalmitoylphosphatidicholine/water system.</opus:title>
<opus:pages>531-545</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19990415)20:5&lt;531::AID-JCC5&gt;3.0.CO;2-3</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#SmondyrevB99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BaronePC01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barone:Ver=oacute=nica.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Peralta:Juan_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Contreras:Rub=eacute=n_H=.html" />
<opus:title>NMR 3J(C1, H3) couplings in 1-X-bicyclo[1.1.1]pentanes. FPT-DFT and NBO studies of hyperconjugative interactions and heavy atom substituent effects.</opus:title>
<opus:pages>1615-1621</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1117</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#BaronePC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PaizsS97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Paizs:B=eacute=la.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Suhai:S=aacute=ndor.html" />
<opus:title>Extension of SCF and DFT versions of chemical Hamiltonian approach to N interacting subsystems and an algorithm for their efficient implementation.</opus:title>
<opus:pages>694-701</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970415)18:5&lt;694::AID-JCC9&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#PaizsS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PaizsS98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Paizs:B=eacute=la.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Suhai:S=aacute=ndor.html" />
<opus:title>Comparative study of BSSE correction methods at DFT and MP2 levels of theory.</opus:title>
<opus:pages>575-584</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980430)19:6&lt;575::AID-JCC1&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#PaizsS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/RabinowitzLG98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rabinowitz:James_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Little:Stephen_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gifford:Eric_M=.html" />
<opus:title>Interactions between chlorinated dioxins and a positively charged molecular probe: New molecular interaction potential.</opus:title>
<opus:pages>673-684</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980430)19:6&lt;673::AID-JCC8&gt;3.0.CO;2-O</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#RabinowitzLG98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/OliveiraMSL01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oliveira:Gl=ecirc=nisson_de.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Martin:Jan_M=_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Silwal:Indira_K=_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Liebman:Joel_F=.html" />
<opus:title>Definitive heat of formation of methylenimine, CH2NH, and of methylenimmonium ion, CH2NH2+, by means of W2 theory .</opus:title>
<opus:pages>1297-1305</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1087</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#OliveiraMSL01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/JiangARM02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jiang:He.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Appadoo:Dominic.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Robertson:Evan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McNaughton:Don.html" />
<opus:title>A comparison of predicted and experimental vibrational spectra in some small fluorocarbons.</opus:title>
<opus:pages>1220-1225</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10115</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#JiangARM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Abrahao-JuniorNG01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Abrah=atilde=o=J=uacute=nior:Odon=iacute=rio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nascimento:Paulo_G=_B=_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Galembeck:S=eacute=rgio_E=.html" />
<opus:title>Conformational analysis of the HIV-1 virus reverse transcriptase nonnucleoside inhibitors: TIBO and nevirapine.</opus:title>
<opus:pages>1817-1829</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1133</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#Abrahao-JuniorNG01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Aerts95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Aerts:Joep.html" />
<opus:title>An Improved Molecular Modeling Method for the Prediction of Enantioselectivity.</opus:title>
<opus:pages>914-922</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#Aerts95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/FeenstraHB99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Feenstra:K=_Anton.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hess:Berk.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berendsen:Herman_J=_C=.html" />
<opus:title>Improving efficiency of large time-scale molecular dynamics simulations of hydrogen-rich systems.</opus:title>
<opus:pages>786-798</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199906)20:8&lt;786::AID-JCC5&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#FeenstraHB99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/VorobjevS97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vorobjev:Yury_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:title>A fast adaptive multigrid boundary element method for macromolecular electrostatic computations in a solvent.</opus:title>
<opus:pages>569-583</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199703)18:4&lt;569::AID-JCC10&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#VorobjevS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HuigeA95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Huige:Cornelis_J=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Altona:Cornelis.html" />
<opus:title>Force Field Parameters for Sulfates and Sulfamates Based on Ab Initio Calculations: Extensions of AMBER and CHARMm Fields.</opus:title>
<opus:pages>56-79</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#HuigeA95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BeachyCFM98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Beachy:Michael_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chasman:David.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Friesner:Richard_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Murphy:Robert_B=.html" />
<opus:title>Parallel pseudospectral electronic structure: II. Localized M&#248;ller-Plesset calculations.</opus:title>
<opus:pages>1030-1038</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980715)19:9&lt;1030::AID-JCC4&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#BeachyCFM98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PernpointnerVJB00">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pernpointner:Markus.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Visscher:Lucas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jong:W=_A=_de.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Broer:Ria.html" />
<opus:title>Parallelization of four-component calculations. I. Integral generation, SCF, and four-index transformation in the Dirac-Fock package MOLFDIR.</opus:title>
<opus:pages>1176-1186</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>21</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200010)21:13&lt;1176::AID-JCC6&gt;3.0.CO;2-E</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc21.html#PernpointnerVJB00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Pearlman94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pearlman:David_A=.html" />
<opus:title>Free Energy Derivatives: A New Method for Probing the Convergence Problem in Free Energy Calculations.</opus:title>
<opus:pages>105-123</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#Pearlman94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GulukotaVD96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gulukota:Kamalakar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vajda:Sandor.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Delisi:Charles.html" />
<opus:title>Peptide docking using dynamic programming.</opus:title>
<opus:pages>418-428</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199603)17:4&lt;418::AID-JCC4&gt;3.0.CO;2-X</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#GulukotaVD96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NolaB98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nola:Alfredo_Di.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Br=uuml=nger:Axel_T=.html" />
<opus:title>Free energy calculations in globular proteins: Methods to reduce errors.</opus:title>
<opus:pages>1229-1240</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199808)19:11&lt;1229::AID-JCC3&gt;3.0.CO;2-M</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#NolaB98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GibsonS94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gibson:Kenneth_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:title>A Rapid and Efficient Algorithm for Packing Polypeptide Chains by Energy Minimization.</opus:title>
<opus:pages>1403-1413</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#GibsonS94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GibsonS97">
<opus:last_modified_date>2003-07-10</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gibson:Kenneth_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scheraga:Harold_A=.html" />
<opus:title>Energy minimization of rigid-geometry polypeptides with exactly closed disulfide loops.</opus:title>
<opus:pages>403-415</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199702)18:3&lt;403::AID-JCC10&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#GibsonS97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KlimovT02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Klimov:D=_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thirumalai:D=.html" />
<opus:title>Is there a unique melting temperature for two-state proteins?.</opus:title>
<opus:pages>161-165</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10005</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#KlimovT02</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BeckCG97">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Beck:Bernd.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Clark:Timothy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Glen:Robert_C=.html" />
<opus:title>VESPA: A new, fast approach to electrostatic potential-derived atomic charges from semiempirical methods.</opus:title>
<opus:pages>744-756</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970430)18:6&lt;744::AID-JCC2&gt;3.0.CO;2-S</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#BeckCG97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ConstansAC97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Constans:Pere.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Amat:Llu=iacute=s.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carb=oacute==Dorca:Ramon.html" />
<opus:title>Toward a global maximization of the molecular similarity function: Superposition of two molecules.</opus:title>
<opus:pages>826-846</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970430)18:6&lt;826::AID-JCC8&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#ConstansAC97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChaeOS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chae:Chong_Hak.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oh:Dong_Gweon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shin:Whanchul.html" />
<opus:title>Flexible molecular superposition: development of a combined similarity index and application of the constrained optimization technique.</opus:title>
<opus:pages>888-900</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.1052</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#ChaeOS01</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SommerB01">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brimacombe:Richard.html" />
<opus:title>Methods for refining interactively established models of ribosomal RNA towards a physico-chemically plausible structure.</opus:title>
<opus:pages>407-417</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200103)22:4&lt;407::AID-JCC1011&gt;3.0.CO;2-A</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#SommerB01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BeckRC94">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Beck:Bernd.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rauhut:Guntram.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Clark:Timothy.html" />
<opus:title>The Natural Atomic Orbital Point Charge Model for PM3: Multipole Moments and Molecular Electrostatic Potentials.</opus:title>
<opus:pages>1064-1073</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#BeckRC94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/McGaugheySB95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/McGaughey:Georgia_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stewart:Eugene_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bowen:J=_Phillip.html" />
<opus:title>Ab Initio and Molecular Mechanics /MM2 and MM3) Calculations of Nonconjugated Positively Charged Nitrogen-Containg Compounds.</opus:title>
<opus:pages>1250-1260</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#McGaugheySB95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/McGaugheySB96">
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stewart:Eugene_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bowen:J=_Phillip.html" />
<opus:title>Ab initio and molecular mechanics (MM2 and MM3) calculations of positively charged conjugated nitrogen-containing compounds.</opus:title>
<opus:pages>1395-1405</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199609)17:12&lt;1395::AID-JCC2&gt;3.0.CO;2-F</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#McGaugheySB96</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/WibergO97">
<opus:last_modified_date>2003-03-31</opus:last_modified_date>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ochterski:Joseph_W=.html" />
<opus:title>Comparison of different ab initio theoretical models for calculating isodesmic reaction energies for small ring and related compounds.</opus:title>
<opus:pages>108-114</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19970115)18:1&lt;108::AID-JCC10&gt;3.0.CO;2-I</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#WibergO97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Becker98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Becker:Oren_M=.html" />
<opus:title>Principal coordinate maps of molecular potential energy surfaces.</opus:title>
<opus:pages>1255-1267</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199808)19:11&lt;1255::AID-JCC5&gt;3.0.CO;2-J</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#Becker98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BultinckAHMT02">
<opus:last_modified_date>2003-03-24</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bultinck:Patrick.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Augustynen:Stijn.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hilbers:Hans_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Moret:Ed_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tollenaere:Jan_P=.html" />
<opus:title>Generate: A program for 3-D structure generation and conformational analysis of peptides and peptidomimetics.</opus:title>
<opus:pages>746-754</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>23</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10081</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc23.html#BultinckAHMT02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/PalmoK98">
<opus:last_modified_date>2003-03-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Palm=ouml=:Kim.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Krimm:Samuel.html" />
<opus:title>Electrostatic model for infrared intensities in a spectroscopically determined molecular mechanics force field.</opus:title>
<opus:pages>754-768</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199805)19:7&lt;754::AID-JCC6&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#PalmoK98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BelostotskiiH98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Belostotskii:Anatoly_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hassner:Alfred.html" />
<opus:title>Meshed tert-butyl gears on a quasirigid backbone.</opus:title>
<opus:pages>1786-1794</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981130)19:15&lt;1786::AID-JCC10&gt;3.0.CO;2-B</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#BelostotskiiH98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BesaluB98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Besal=uacute=:Emili.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bofill:Josep_Maria.html" />
<opus:title>Calculation of clustered eigenvalues of large matrices using variance minimization method.</opus:title>
<opus:pages>1777-1785</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19981130)19:15&lt;1777::AID-JCC9&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#BesaluB98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SierraaltaR94">
<opus:last_modified_date>2004-12-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sierraalta:Anibal.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruette:Fernando.html" />
<opus:title>A Comarative Study of Effective Core Potential and Full-Electron Calculations in Mo Compounds. I. An ANalysis of Topological Properties of Bond Charge Distribution.</opus:title>
<opus:pages>313-321</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#SierraaltaR94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/KomatsuNST96">
<opus:last_modified_date>2003-04-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Komatsu:T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Noro:T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sasaki:F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tatewaki:H=.html" />
<opus:title>Quality of correlating functions generated from commonly used basis sets.</opus:title>
<opus:pages>1276-1286</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>17</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19960730)17:10&lt;1276::AID-JCC8&gt;3.0.CO;2-L</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc17.html#KomatsuNST96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/HofingerS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/H=ouml=finger:Siegfried.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Simonson:Thomas.html" />
<opus:title>Dielectric relaxation in proteins: a continuum electrostatics model incorporating dielectric heterogeneity of the protein and time-dependent charges.</opus:title>
<opus:pages>290-305</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200102)22:3&lt;290::AID-JCC1002&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#HofingerS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ChiuCJSS99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chiu:S=_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Clark:M=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jakobsson:Eric.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Subramaniam:Shankar.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scott:H=_Larry.html" />
<opus:title>Application of combined Monte Carlo and molecular dynamics method to simulation of dipalmitoyl phosphatidylcholine lipid bilayer.</opus:title>
<opus:pages>1153-1164</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199908)20:11&lt;1153::AID-JCC6&gt;3.0.CO;2-K</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#ChiuCJSS99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Haddon98">
<opus:last_modified_date>2003-03-26</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Haddon:R=_C=.html" />
<opus:title>Organometallic chemistry of fullerenes: 2- and 5-()complexes.</opus:title>
<opus:pages>139-143</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>19</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19980130)19:2&lt;139::AID-JCC6&gt;3.0.CO;2-V</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc19.html#Haddon98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/GoddenSB99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Godden:Jeffrey_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stahura:Florence_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bajorath:J=uuml=rgen.html" />
<opus:title>Statistical analysis of computational docking of large compound data bases to distinct protein binding sites.</opus:title>
<opus:pages>1634-1643</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>15</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991130)20:15&lt;1634::AID-JCC4&gt;3.0.CO;2-1</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#GoddenSB99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/NaidooK01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Naidoo:Kevin_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kuttel:Michelle.html" />
<opus:title>Water structure about the dimer and hexamer repeat units of amylose from molecular dynamics computer simulations.</opus:title>
<opus:pages>445-456</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200103)22:4&lt;445::AID-JCC1015&gt;3.0.CO;2-P</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#NaidooK01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/Gresh95">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gresh:Nohad.html" />
<opus:title>&lt;sup&gt;2+&lt;/sup&gt;Binding to a Series of Biologically Relecant Ligands: A Molecular Mechanics Investigation Grounded on Ab Initio Self-Consistent Field Supermolecular Computations.</opus:title>
<opus:pages>856-882</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc16.html#Gresh95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/ReindlCS97a">
<opus:last_modified_date>2004-09-28</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reindl:Bernd.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Clark:Timothy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schleyer:Paul_von_Ragu=eacute=.html" />
<opus:title>Empirical force field and ab initio calculations on allyl cations.</opus:title>
<opus:pages>533-551</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>18</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(199703)18:4&lt;533::AID-JCC7&gt;3.0.CO;2-U</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc18.html#ReindlCS97a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/BetancourtS01">
<opus:last_modified_date>2003-05-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Betancourt:Marcos_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Skolnick:Jeffrey.html" />
<opus:title>Finding the needle in a haystack: educing native folds from ambiguous ab initio protein structure predictions.</opus:title>
<opus:pages>339-353</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>22</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://dx.doi.org/10.1002/1096-987X(200102)22:3&lt;339::AID-JCC1006&gt;3.0.CO;2-R</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc22.html#BetancourtS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/LlusarBANS99">
<opus:last_modified_date>2003-03-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Llusar:Rosa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Beltr=aacute=n:Armando.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Andr=eacute=s:Juan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Noury:St=eacute=phane.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Silvi:Bernard.html" />
<opus:title>Topological analysis of electron density in depleted homopolar chemical bonds.</opus:title>
<opus:pages>1517-1526</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>20</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>14</opus:number>
<opus:ee>http://dx.doi.org/10.1002/(SICI)1096-987X(19991115)20:14&lt;1517::AID-JCC4&gt;3.0.CO;2-#</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc20.html#LlusarBANS99</rdfs:seeAlso>
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<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcc/SchmitzC94">
<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schmitz:Lawrence_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Yi_Ren.html" />
<opus:title>Heats of Formation of Organic Molecules Calculated from AB Initio Theory and a Group Equivalent Scheme: Alkenes.</opus:title>
<opus:pages>1437-1445</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>12</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#SchmitzC94</rdfs:seeAlso>
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<opus:last_modified_date>2003-05-09</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schmitz:Brian_K=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Euler:William_B=.html" />
<opus:title>A Computaional Study of Azine, Azoethene, and Diimine Linkages.</opus:title>
<opus:pages>1163-1175</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc15.html#SchmitzE94</rdfs:seeAlso>
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<opus:pages>1613-1622</opus:pages>
<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
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<opus:number>13</opus:number>
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<opus:pages>1347-1354</opus:pages>
<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
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<opus:number>11</opus:number>
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<opus:number>11</opus:number>
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<opus:pages>1075-1083</opus:pages>
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<opus:volume>25</opus:volume>
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<opus:pages>799-812</opus:pages>
<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.20008</opus:ee>
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<opus:pages>1-16</opus:pages>
<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10355</opus:ee>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Piquemal:Jean=Philip.html" />
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fey:Natalie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Deeth:Robert_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gresh:Nohad.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Giessner=Prettre:Claude.html" />
<opus:title>Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF.</opus:title>
<opus:pages>308</opus:pages>
<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10415</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc25.html#PiquemalWFDGG04</rdfs:seeAlso>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barone:Vincenzo.html" />
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<opus:pages>1333-1341</opus:pages>
<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.20062</opus:ee>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reveles:J=_Ulises.html" />
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<opus:title>Geometry optimization in density functional methods.</opus:title>
<opus:pages>1109-1116</opus:pages>
<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.20034</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc25.html#RevelesK04</rdfs:seeAlso>
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<opus:last_modified_date>2004-09-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jug:Karl.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bredow:Thomas.html" />
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<opus:pages>1551-1567</opus:pages>
<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.20080</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc25.html#JugB04</rdfs:seeAlso>
</opus:Article>

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<opus:last_modified_date>2004-09-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Balta:B=uuml=lent.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Aviyente:Viktorya.html" />
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<opus:pages>690-703</opus:pages>
<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10422</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc25.html#BaltaA04</rdfs:seeAlso>
</opus:Article>

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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fukaya:Haruhiko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Ono:Taizo.html" />
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<opus:pages>51-60</opus:pages>
<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10339</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc25.html#FukayaO04</rdfs:seeAlso>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wagoner:Jason.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baker:Nathan_A=.html" />
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<opus:pages>1623-1629</opus:pages>
<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>13</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.20089</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcc/jcc25.html#WagonerB04</rdfs:seeAlso>
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<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Putz:Mihai_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Russo:Nino.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sicilia:Emilia.html" />
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<opus:pages>994-1003</opus:pages>
<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.20027</opus:ee>
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<opus:last_modified_date>2004-09-07</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Ikeguchi:Mitsunori.html" />
<opus:title>Partial rigid-body dynamics in NPT, NPAT and NPT ensembles for proteins and membranes.</opus:title>
<opus:pages>529-541</opus:pages>
<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
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<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
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<opus:number>10</opus:number>
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<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
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<opus:number>5</opus:number>
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<opus:title>Direct ab initio dynamics studies on the hydrogen-abstraction reactions of OH radicals with HOX (X = F, Cl, and Br).</opus:title>
<opus:pages>558-564</opus:pages>
<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10403</opus:ee>
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<opus:title>Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis.</opus:title>
<opus:pages>189-210</opus:pages>
<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.10351</opus:ee>
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<opus:title>Macrocyclic vs. dendrimeric effect. A DFT study.</opus:title>
<opus:pages>1215-1226</opus:pages>
<opus:year>2004</opus:year>
<opus:volume>25</opus:volume>
<opus:journal_name>Journal of Computational Chemistry</opus:journal_name>
<opus:number>10</opus:number>
<opus:ee>http://dx.doi.org/10.1002/jcc.20046</opus:ee>
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