<?xml version="1.0" encoding="ISO-8859-1"?>

<rdf:RDF 
  xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
  xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
xmlns:foaf="http://xmlns.com/foaf/0.1/"
  xmlns:opus="http://swat.cse.lehigh.edu/resources/onto/dblp.owl#"
  xmlns:owl="http://www.w3.org/2002/07/owl#" >
<owl:Ontology>
  <owl:imports rdf:resource="http://swat.cse.lehigh.edu/resources/onto/dblp.owl" />
</owl:Ontology>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/LomizePM99">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lomize:Andrei_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pogozheva:Irina_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mosberg:Henry_I=.html" />
<opus:title>Structural organization of G-protein-coupled receptors.</opus:title>
<opus:pages>325-353</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>13</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/11/6/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd13.html#LomizePM99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/GarlandD99">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Garland:S=_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dean:Philip_M=.html" />
<opus:title>Design criteria for molecular mimics of fragments of the beta-turn. 1. C-alpha atom analysis.</opus:title>
<opus:pages>469-483</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>13</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/17/4/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd13.html#GarlandD99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/LangerW93">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Langer:Thierry.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wermuth:Camille_G=.html" />
<opus:title>Inhibitors of prolyl endopeptidase: Characterization of the pharmacophoric pattern using conformational analysis and 3D-QSAR.</opus:title>
<opus:pages>253-262</opus:pages>
<opus:year>1993</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd7.html#LangerW93</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/BernardiGBC01">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bernardi:Anna.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Galgano:Marta.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Belvisi:Laura.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Colombo:Giorgio.html" />
<opus:title>Simulation of carbohydrate-protein interactions: Computer-aided design of a second generation GM1 mimic.</opus:title>
<opus:pages>117-128</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/28/2/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd15.html#BernardiGBC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/CarottiACMBLTT95">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carotti:Angelo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Altomare:Cosimo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cellamare:Saverio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Monforte:AnnaMaria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bettoni:Giancarlo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Loiodice:Fulvio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tangari:Nicola.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tortorella:Vincenzo.html" />
<opus:title>LFER and CoMFA studies on optical resolution of alpha-alkyl alpha-aryloxy acetic acid methl esters on DACH-DNB chiral stationary phase.</opus:title>
<opus:pages>131-138</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd9.html#CarottiACMBLTT95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/GironesARC00">
<opus:last_modified_date>2003-03-18</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/a/Amat:Llu=iacute=s.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>Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies.</opus:title>
<opus:pages>477-485</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>14</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/23/8/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd14.html#GironesARC00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/OyasuNTMM95">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oyasu:Hitoshi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nakanishi:Isao.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tanaka:Akito.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Murano:Kenji.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Matsuo:Masaaki.html" />
<opus:title>Conformational studies on the four stereoisomers of the novel anticholinergic 4-(dimethylamino)-2-phenyl-2-(2-pyridyl)pentanamide.</opus:title>
<opus:pages>171-180</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd9.html#OyasuNTMM95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/DillerM02">
<opus:last_modified_date>2003-03-18</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/j/Jr=:Kenneth_M=_Merz.html" />
<opus:title>Can we separate active from inactive conformations?</opus:title>
<opus:pages>105-112</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/41/1/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd16.html#DillerM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/LauriB94">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lauri:Georges.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bartlett:Paul_A=.html" />
<opus:title>CAVEAT: A program to facilitate the design of organic molecules.</opus:title>
<opus:pages>51-66</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd8.html#LauriB94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/AllenHT96">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allen:Frank_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harris:Stephanie_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Taylor:Robin.html" />
<opus:title>Comparison of conformer distributions in the crystalline state with conformational energies calculated by ab initio techniques.</opus:title>
<opus:pages>247-254</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd10.html#AllenHT96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/Schleifer00">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schleifer:Klaus=J=uuml=rgen.html" />
<opus:title>Pseudoreceptor model for ryanodine derivatives at calcium release channels.</opus:title>
<opus:pages>467-475</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>14</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/23/6/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd14.html#Schleifer00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/Schleifer97">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schleifer:Klaus=J=uuml=rgen.html" />
<opus:title>Comparative molecular modelling study of the calcium channel blockers nifedipine and black mamba toxin FS2.</opus:title>
<opus:pages>491-501</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>11</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/1/4/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd11.html#Schleifer97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/CentenoP98">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Centeno:Nuria_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Perez:Juan_J=.html" />
<opus:title>A proposed bioactive conformation of Peptide T.</opus:title>
<opus:pages>7-14</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/4/5/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd12.html#CentenoP98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/ParkerH94">
<opus:last_modified_date>2003-03-18</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:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hodges:R=_S=.html" />
<opus:title>HomologyPlot: Searching for homology to a family of proteins using a database of unique conserved patterns.</opus:title>
<opus:pages>193-210</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd8.html#ParkerH94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/HuberTG94">
<opus:last_modified_date>2003-03-18</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:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gunsteren:Wilfred_F=_van.html" />
<opus:title>Local elevation: A method for improving the searching properties of molecular dynamics simulation.</opus:title>
<opus:pages>695-708</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd8.html#HuberTG94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/GilletJMSW93">
<opus:last_modified_date>2004-11-08</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gillet:Valerie_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Johnson:A=_Peter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mata:Paulina.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sike:Sandor.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Williams:Philip.html" />
<opus:title>SPROUT: A program for structure generation.</opus:title>
<opus:pages>127-153</opus:pages>
<opus:year>1993</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd7.html#GilletJMSW93</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/MullaleyT94">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mullaley:Anne.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Taylor:Robin.html" />
<opus:title>Conformational properties of pyrethroids.</opus:title>
<opus:pages>135-152</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd8.html#MullaleyT94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/HernandezLO00">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<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/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>Mixed QM/MM molecular electrostatic potentials.</opus:title>
<opus:pages>329-339</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>14</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/22/7/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd14.html#HernandezLO00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/HernandezOL96">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<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>Tautomerism of xanthine and alloxanthine: A model for substrate recognition by xanthine oxidase.</opus:title>
<opus:pages>535-544</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd10.html#HernandezOL96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/HernandezOL97">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<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>Role of the tautomerism of 2-azaadenine and 2-azahypoxanthine in substrate recognition by xanthine oxidase.</opus:title>
<opus:pages>153-162</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>11</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/16/6/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd11.html#HernandezOL97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/LaakTLNSK95">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Laak:Anton_M=_ter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Timmerman:Hendrik.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Leurs:Rob.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nederkoorn:Paul_H=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smit:Martine_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kelder:Gabri=euml=lle_M=_Donn=eacute==Op_den.html" />
<opus:title>&lt;sub&gt;1&lt;/sub&gt;&lt;sub&gt;1&lt;/sub&gt;&lt;sup&gt;116&lt;/sup&gt;(TM3) has a constitutive role in receptor stimulation.</opus:title>
<opus:pages>319-330</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd9.html#LaakTLNSK95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/HirstKS94a">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<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/King:Ross_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sternberg:Michael_J=_E=.html" />
<opus:title>Quantitative structure-activity relationships by neural networks and inductive logic programming. II. The inhibition of dihydrofolate reductase by triazines.</opus:title>
<opus:pages>421-432</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd8.html#HirstKS94a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/ParksCT98">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Parks:Camden_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Crippen:Gordon_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Topliss:John_G=.html" />
<opus:title>The measurement of molecular diversity by receptor site interaction simulation.</opus:title>
<opus:pages>441-449</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/9/5/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd12.html#ParksCT98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/Sippl00">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sippl:Wolfgang.html" />
<opus:title>Receptor-based 3D QSAR analysis of estrogen receptor ligands - merging the accuracy of receptor-based alignments with the computational efficiency of ligand-based methods.</opus:title>
<opus:pages>559-572</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>14</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/24/4/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd14.html#Sippl00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/Sippl02">
<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/s/Sippl:Wolfgang.html" />
<opus:title>Development of biologically active compounds by combining 3D QSAR and structure-based design methods.</opus:title>
<opus:pages>825-830</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://ipsapp009.kluweronline.com/content/getfile/4830/49/8/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd16.html#Sippl02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/Sippl93">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sippl:Manfred_J=.html" />
<opus:title>Boltzmann&apos;s principle, knowledge-based mean fields and protein folding. An approach to the computational determination of protein structures.</opus:title>
<opus:pages>473-501</opus:pages>
<opus:year>1993</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd7.html#Sippl93</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/NicklausMB92">
<opus:last_modified_date>2003-03-18</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:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Milne:George_W=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jr=:Terrence_R=_Burke.html" />
<opus:title>QSAR of conformationally flexible molecules: Comparative molecular field analysis of protein-tyrosine kinase inhibitors.</opus:title>
<opus:pages>487-504</opus:pages>
<opus:year>1992</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd6.html#NicklausMB92</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/ZhuYFLS01">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zhu:Jiang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yu:Haibo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fan:Hao.html" />
<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>Design of new selective inhibitors of cyclooxygenase-2 by dynamic assembly of molecular building blocks.</opus:title>
<opus:pages>447-463</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/31/4/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd15.html#ZhuYFLS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/SalichsLSOL02">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Salichs:Albert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/L=oacute=pez:M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Segarra:V=.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>Fast estimation of hydrogen-bonding donor and acceptor propensities: a GMIPp study.</opus:title>
<opus:pages>569-583</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>8-9</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/46/5/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd16.html#SalichsLSOL02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/OshiroKD95">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oshiro:C=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kuntz:I=_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dixon:J=_Scott.html" />
<opus:title>Flexible ligand docking using a genetic algorithm.</opus:title>
<opus:pages>113-130</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd9.html#OshiroKD95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/HasegawaDYMS94">
<opus:last_modified_date>2004-11-10</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hasegawa:Kiyoshi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Deushi:Takeo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yoshida:Hiroshi.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Miyashita:Yoshikatsu.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sasaki:Shin=ichi.html" />
<opus:title>Chemometric QSAR studies of antifungal azoxy compounds.</opus:title>
<opus:pages>449-456</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd8.html#HasegawaDYMS94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/AlemanCG98">
<opus:last_modified_date>2005-06-21</opus:last_modified_date>
<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/c/Casanovas:Jordi.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>PAPQMD parametrization of molecular systems with cyclopropyl rings: Conformational study of homopeptides constituted by 1-aminocyclopropane-1-carboxylic acid.</opus:title>
<opus:pages>259-273</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/6/4/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd12.html#AlemanCG98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/AlemanLO93">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<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/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>A new scaling procedure to correct semiempirical MEP and MEP-derived properties.</opus:title>
<opus:pages>721-742</opus:pages>
<opus:year>1993</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd7.html#AlemanLO93</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/NairJG01">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nair:Margie_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jackson:Graham_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/G=auml=de:Gerd.html" />
<opus:title>Conformational study of insect adipokinetic hormones using NMR constrained molecular dynamics.</opus:title>
<opus:pages>259-270</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/29/5/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd15.html#NairJG01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/GrootenhuisRKK94">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grootenhuis:Peter_D=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Roe:Diana_C=.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/k/Kuntz:Irwin_D=.html" />
<opus:title>Finding potential DNA-binding compounds by using molecular shape.</opus:title>
<opus:pages>731-750</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd8.html#GrootenhuisRKK94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/RuelleBNK92">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ruelle:Paul.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Buchmann:Michel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Nam=Tran:H=ocirc=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kesselring:Ulrich_W=.html" />
<opus:title>Enhancement of the solubilities of polycyclic aromatic hydrocarbons by weak hydrogen bonds with water.</opus:title>
<opus:pages>431-448</opus:pages>
<opus:year>1992</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd6.html#RuelleBNK92</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/PetitBCPT98">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Petit:Samuel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brard:Fr=eacute=d=eacute=ric.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Coquerel:G=eacute=rard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Perez:Guy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tron:Fran=ccedil=ois.html" />
<opus:title>Structural models of antibody variable fragments: A method for investigating binding mechanisms.</opus:title>
<opus:pages>147-163</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/5/4/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd12.html#PetitBCPT98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/McmartinB97">
<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/m/McMartin:Colin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bohacek:Regine_S=.html" />
<opus:title>QXP: Powerful, rapid computer algorithms for structure-based drug design.</opus:title>
<opus:pages>333-344</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>11</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/2/5/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd11.html#McmartinB97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/AloyMMQAO00">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Aloy:Patrick.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mas:Jos=eacute=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mart=iacute==Renom:Marc_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/q/Querol:Enrique.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Avil=eacute=s:Francesc_X=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oliva:Baldomero.html" />
<opus:title>Refinement of modelled structures by knowledge-based energy profiles and secondary structure prediction: Application to the human procarboxypeptidase A2.</opus:title>
<opus:pages>83-92</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>14</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/19/2/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd14.html#AloyMMQAO00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/ReakaHM02">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reaka:Andrea_J=_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Ho:Chris_M=_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Marshall:Garland_R=.html" />
<opus:title>Metal complexes of chiral pentaazacrowns as conformational templates for beta-turn recognition.</opus:title>
<opus:pages>585-600</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>8-9</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/46/7/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd16.html#ReakaHM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/BronowskaCLEOS01">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bronowska:Agnieszka.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chilmonczyk:Zdzislaw.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Les:Andrzej.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Edvardsen:=Oslash=yvind.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/=/=Oslash=stensen:Roy.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sylte:Ingebrigt.html" />
<opus:title>Molecular dynamics of 5-HT1A and 5-HT2A serotonin receptors with methylated buspirone analogues.</opus:title>
<opus:pages>1005-1023</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/37/4/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd15.html#BronowskaCLEOS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/BerglundRW97">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berglund:Anders.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rosa:Maria_Cristina_De.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wold:Svante.html" />
<opus:title>Alignment of flexible molecules at their receptor site using 3D descriptors and Hi-PCA.</opus:title>
<opus:pages>601-612</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>11</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/3/7/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd11.html#BerglundRW97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/BerglundRW98">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Berglund:Anders.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rosa:Maria_Cristina_De.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wold:Svante.html" />
<opus:title>Alignment of flexible molecules at their receptor site using 3D descriptors and Hi-PCA.</opus:title>
<opus:pages>601-612</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/3/7/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd12.html#BerglundRW98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/StorerGCT95">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<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/g/Giesen:David_J=.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>Class IV charge models: A new semiempirical approach in quantum chemistry.</opus:title>
<opus:pages>87-110</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd9.html#StorerGCT95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/Gillet02">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gillet:Valerie_J=.html" />
<opus:title>Reactant- and product-based approaches to the design of combinatorial libraries.</opus:title>
<opus:pages>371-380</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5-6</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/44/1/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd16.html#Gillet02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/PitmanHHKRS01">
<opus:last_modified_date>2005-01-04</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pitman:Michael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Huber:Wolfgang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Horn:Hans_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kr=auml=mer:Andreas.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rice:Julia_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Swope:William_C=.html" />
<opus:title>FLASHFLOOD: A 3D Field-based similarity search and alignment method for flexible molecules.</opus:title>
<opus:pages>587-612</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/33/1/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd15.html#PitmanHHKRS01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/KoymansVBK93">
<opus:last_modified_date>2004-09-27</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Koymans:Lucien_M=_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vermeulen:Nico_P=_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baarslag:Allard.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kelder:Gabri=euml=lle_M=_Donn=eacute==Op_den.html" />
<opus:title>A preliminary 3D model for cytochrome P450 2D6 constructed by homology model building.</opus:title>
<opus:pages>281-289</opus:pages>
<opus:year>1993</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd7.html#KoymansVBK93</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/GarlandD99a">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Garland:S=_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dean:Philip_M=.html" />
<opus:title>Design criteria for molecular mimics of fragments of the beta-turn. 2. C-alpha-C-beta bond vector analysis.</opus:title>
<opus:pages>485-498</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>13</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/17/5/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd13.html#GarlandD99a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/EldridgeMAPM97">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Eldridge:Matthew_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Murray:Christopher_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Auton:Timothy_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Paolini:Gaia_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mee:Roger_P=.html" />
<opus:title>Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes.</opus:title>
<opus:pages>425-445</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>11</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/1/7/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd11.html#EldridgeMAPM97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/NicolottiPCACSC01">
<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/n/Nicolotti:O=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pellegrini=Calace:Marialuisa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carrieri:Antonio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Altomare:Cosimo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Centeno:Nuria_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sanz:Ferran.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Carotti:Andrea.html" />
<opus:title>Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophore.</opus:title>
<opus:pages>859-872</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/35/6/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd15.html#NicolottiPCACSC01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/JainDLCCBWL94">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jain:Ajay_N=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dietterich:Thomas_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lathrop:Richard_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chapman:David.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jr=:Roger_E=_Critchlow.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bauer:Barr_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Webster:Teresa_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lozano=P=eacute=rez:Tom=aacute=s.html" />
<opus:title>Compass: A shape-based machine learning tool for drug design.</opus:title>
<opus:pages>635-652</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd8.html#JainDLCCBWL94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/GerberM95">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gerber:Paul_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/M=uuml=ller:Klaus.html" />
<opus:title>MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry.</opus:title>
<opus:pages>251-268</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd9.html#GerberM95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/HudsonGFL92">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hudson:Brian_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/George:Ashley_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Ford:Martyn_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Livingstone:David_J=.html" />
<opus:title>Structure-activity relationships of pyrethroid insecticides. Part 2. The use of molecular dynamics for conformation searching and average parameter calculation.</opus:title>
<opus:pages>191-201</opus:pages>
<opus:year>1992</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd6.html#HudsonGFL92</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/VilloutreixTD97">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Villoutreix:Bruno_O=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Teleman:Olle.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dahlb=auml=ck:Bj=ouml=rn.html" />
<opus:title>A theoretical model for the Gla-TSR-EGF-1 region of the anticoagulant cofactor protein S: From biostructural pathology to specie.</opus:title>
<opus:pages>293-304</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>11</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/7/8/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd11.html#VilloutreixTD97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/TonderOHBP01">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/T=oslash=nder:Janne_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Olesen:Preben_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hansen:John_Bondo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Begtrup:Mikael.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pettersson:Ingrid.html" />
<opus:title>An improved nicotinic pharmacophore and a stereoselective CoMFA-model for nicotinic agonists acting at the central nicotinic acetylcholine receptors labelled by [3H]-N-methylcarbamylcholine.</opus:title>
<opus:pages>247-258</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/29/6/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd15.html#TonderOHBP01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/BaellHN02">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Baell:Jonathan_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Harvey:Andrew_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Norton:Raymond_S=.html" />
<opus:title>Design and synthesis of type-III mimetics of ShK toxin.</opus:title>
<opus:pages>245-262</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/43/5/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd16.html#BaellHN02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/KlopmanL95">
<opus:last_modified_date>2003-03-18</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/l/Li:Ju=Yun.html" />
<opus:title>Quantitative structure-agonist activity relationship of capsaicin analogues.</opus:title>
<opus:pages>283-294</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd9.html#KlopmanL95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/KlopmanP93">
<opus:last_modified_date>2003-03-18</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/p/Ptchelintsev:Dmitri.html" />
<opus:title>Antifungal triazole alcohols: A comparative analysis of structure-activity, structure-teratogenicity and structure-therapeutic index relationships using the Multiple Computer-Automated Structure Evaluation (Multi-CASE) methodology.</opus:title>
<opus:pages>349-362</opus:pages>
<opus:year>1993</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd7.html#KlopmanP93</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/AlemanO92">
<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/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>On the suitability of semiempirical calculations as sources of force field parameters.</opus:title>
<opus:pages>331-348</opus:pages>
<opus:year>1992</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd6.html#AlemanO92</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/AlemanP93">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<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/p/Perez:Juan_J=.html" />
<opus:title>SCF-MO study of the polyglycine II structure.</opus:title>
<opus:pages>241-250</opus:pages>
<opus:year>1993</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd7.html#AlemanP93</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/GokhaleK00">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gokhale:Vijay_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kulkarni:Vithal_M=.html" />
<opus:title>Selectivity analysis of 5-(arylthio)-2, 4-diaminoquinazolines as inhibitors of Candida albicans dihydrofolate reductase by molecular dynamics simulations.</opus:title>
<opus:pages>495-506</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>14</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/23/5/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd14.html#GokhaleK00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/RareyKL97">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rarey:Matthias.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kramer:Bernd.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lengauer:Thomas.html" />
<opus:title>Multiple automatic base selection: Protein-ligand docking based on incremental construction without manual intervention.</opus:title>
<opus:pages>369-384</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>11</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/2/2/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd11.html#RareyKL97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/SzklarzH97">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Szklarz:Grazyna_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Halpert:James_R=.html" />
<opus:title>Molecular modeling of cytochrome P450 3A4.</opus:title>
<opus:pages>265-272</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>11</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/7/5/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd11.html#SzklarzH97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/RareyWL96">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rarey:Matthias.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wefing:Stephan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lengauer:Thomas.html" />
<opus:title>Placement of medium-sized molecular fragments into active sites of proteins.</opus:title>
<opus:pages>41-54</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd10.html#RareyWL96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/GrembeckaSK00">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grembecka:J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sokalski:W=_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kafarski:P=.html" />
<opus:title>Computer-aided design and activity prediction of leucine aminopeptidase inhibitors.</opus:title>
<opus:pages>531-544</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>14</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/24/1/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd14.html#GrembeckaSK00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/VenanziBV95">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Venanzi:Thomas_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bryant:Bruce_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Venanzi:Carol_A=.html" />
<opus:title>Computational analysis of binding affinity and neural response at the L-alanine receptor.</opus:title>
<opus:pages>439-447</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd9.html#VenanziBV95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/HindleRBL02">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<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/r/Rarey:Matthias.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/l/Lengauer:Thomas.html" />
<opus:title>Flexible docking under pharmacophore type constraints.</opus:title>
<opus:pages>129-149</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/41/2/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd16.html#HindleRBL02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/GrecoNPSV94">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Greco:Giovanni.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Novellino:Ettore.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pellecchia:Maurizio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Silipo:Carlo.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vittoria:Antonio.html" />
<opus:title>Effects of variable selection on CoMFA coefficient contour maps in a set of triazines inhibiting DHFR.</opus:title>
<opus:pages>97-112</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd8.html#GrecoNPSV94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/HannongbuaPLW99">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hannongbua:Supa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pungpo:Pornpan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Limtrakul:Jumras.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wolschann:Peter.html" />
<opus:title>Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitors.</opus:title>
<opus:pages>563-577</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>13</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/18/6/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd13.html#HannongbuaPLW99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/BarakatD95a">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barakat:M=_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dean:P=_M=.html" />
<opus:title>The atom assignment problem in automated de novo drug design. 2. A method for molecular graph and fragment perception.</opus:title>
<opus:pages>351-358</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd9.html#BarakatD95a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/BarakatD95b">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barakat:M=_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dean:P=_M=.html" />
<opus:title>The atom assignment problem in automated de novo drug design. 3. Algorithms for optimization of fragment placement onto 3D molecular graphs.</opus:title>
<opus:pages>359-372</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd9.html#BarakatD95b</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/BarakatD95c">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barakat:M=_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dean:P=_M=.html" />
<opus:title>The atom assignment problem in automated de novo drug design. 4. Tests for site-directed fragment placement based on molecular complementarity.</opus:title>
<opus:pages>448-456</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd9.html#BarakatD95c</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/BarakatD95d">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Barakat:M=_T=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dean:P=_M=.html" />
<opus:title>The atom assignment problem in automated de novo drug design. 5. Tests for envelope-directed fragment placement based on molecular similarity.</opus:title>
<opus:pages>457-462</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd9.html#BarakatD95d</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/BoyerZ02">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Boyer:Scott.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zamora:Ismael.html" />
<opus:title>New methods in predictive metabolism.</opus:title>
<opus:pages>403-413</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5-6</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/44/5/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd16.html#BoyerZ02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/Galvez-ruanoIML99">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/G=aacute=lvez=ruano:Enrique.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Iriepa=Canalda:Isabel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Morreale:Antonio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lipkowitz:Kenny_B=.html" />
<opus:title>A computational model of the nicotinic acetylcholine binding site.</opus:title>
<opus:pages>57-68</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>13</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/12/6/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd13.html#Galvez-ruanoIML99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/GussioPCS92">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gussio:Rick.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pou:Sovitj.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chen:Jih=Hsiang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Smythers:Gary_W=.html" />
<opus:title>A pseudoreceptor docking study of 4, 5-alpha-epoxymorphinans with a range of dielectric constants.</opus:title>
<opus:pages>149-158</opus:pages>
<opus:year>1992</opus:year>
<opus:volume>6</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd6.html#GussioPCS92</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/RienzoGM02">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rienzo:F=_De.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Grant:G=_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Menziani:M=_C=.html" />
<opus:title>Theoretical descriptors for the quantitative rationalisation of plastocyanin mutant functional propertiess.</opus:title>
<opus:pages>501-509</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/45/4/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd16.html#RienzoGM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/OliveiraPV93">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Oliveira:L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Paiva:A=_C=_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vriend:Gert.html" />
<opus:title>A common motif in G-protein-coupled seven transmembrane helix receptors.</opus:title>
<opus:pages>649-658</opus:pages>
<opus:year>1993</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd7.html#OliveiraPV93</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/SipplCPRW01">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sippl:Wolfgang.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Contreras:Jean=Marie.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Parrot:Isabelle.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rival:Yveline_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wermuth:Camille_G=.html" />
<opus:title>Structure-based 3D QSAR and design of novel acetylcholinesterase inhibitors.</opus:title>
<opus:pages>395-410</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/31/1/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd15.html#SipplCPRW01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/OlsonSH95">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Olson:Mark_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Scovill:John_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hack:Dallas_C=.html" />
<opus:title>Simulation analysis of formycin 5&apos;-monophosphate analog substrates in the ricin A-chain active site.</opus:title>
<opus:pages>226-236</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd9.html#OlsonSH95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/MeyerWKS98">
<opus:last_modified_date>2003-03-18</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/w/Wohlfahrt:Gerd.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kn=auml=blein:J=ouml=rg.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schomburg:Dietmar.html" />
<opus:title>Aspects of the mechanism of catalysis of glucose oxidase: A docking, molecular mechanics and quantum chemical study.</opus:title>
<opus:pages>425-440</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/9/1/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd12.html#MeyerWKS98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/MillsPD97">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mills:J=_E=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Perkins:Tim_D=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dean:Philip_M=.html" />
<opus:title>An automated method for predicting the positions of hydrogen-bonding atoms in binding sites.</opus:title>
<opus:pages>229-242</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>11</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/7/2/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd11.html#MillsPD97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/RadmerK98">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Radmer:Randall_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kollman:Peter_A=.html" />
<opus:title>The application of three approximate free energy calculations methods to structure based ligand design: Trypsin and its complex with inhibitors.</opus:title>
<opus:pages>215-227</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/6/1/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd12.html#RadmerK98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/PerkinsMD95">
<opus:last_modified_date>2004-11-10</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Perkins:Tim_D=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mills:J=_E=_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dean:Philip_M=.html" />
<opus:title>Molecular surface-volume and property matching to superpose flexible dissimilar molecules.</opus:title>
<opus:pages>479-490</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd9.html#PerkinsMD95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/CallebautTBBPM94">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Callebaut:Isabelle.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tasso:Anne.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Brasseur:Robert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Burny:Ars=egrave=ne.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Portetelle:Daniel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mornon:Jean_Paul.html" />
<opus:title>Common prevalence of alanine and glycine in mobile reactive centre loops of serpins and viral fusion peptides: Do prions possess a fusion peptide?</opus:title>
<opus:pages>175-191</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd8.html#CallebautTBBPM94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/YurievO96">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/y/Yuriev:Elizabeth.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Orbell:John_D=.html" />
<opus:title>Modelling steric effects in DNA-binding platinum(II)-am(m)ine complexes.</opus:title>
<opus:pages>589-606</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd10.html#YurievO96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/AlkortaV93">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alkorta:Ibon.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Villar:Hugo_O=.html" />
<opus:title>Considerations on the recognition of the D1 receptor by agonists.</opus:title>
<opus:pages>659-670</opus:pages>
<opus:year>1993</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd7.html#AlkortaV93</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/ApayaBP97">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Apaya:Robert_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bond=iacute=:Maria.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Price:Sarah_L=.html" />
<opus:title>The orientation of N-H...O=C and N-H...N hydrogen bonds in biological systems: How good is a point charge as a model for a hydrogen bonding atom?</opus:title>
<opus:pages>479-490</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>11</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/1/2/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd11.html#ApayaBP97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/HariprasadK96">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hariprasad:V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Kulkarni:Vithal_M=.html" />
<opus:title>A proposed common spatial pharmacophore and the corresponding active conformations of some peptide leukotriene receptor antagonists.</opus:title>
<opus:pages>284-292</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd10.html#HariprasadK96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/Vinter94">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vinter:J=_G=.html" />
<opus:title>Extended electron distributions applied to the molecular mechanics of some intermolecular interactions.</opus:title>
<opus:pages>653-668</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd8.html#Vinter94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/Vinter96">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Vinter:J=_G=.html" />
<opus:title>Extend electron distributions applied to the molecular mechanics of some intermolecular interactions. II. Organic complexes.</opus:title>
<opus:pages>417-426</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd10.html#Vinter96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/GaudioM02">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gaudio:Anderson_Coser.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Montanari:Carlos_Alberto.html" />
<opus:title>HEPT derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase: QSAR studies agree with the crystal structures.</opus:title>
<opus:pages>287-295</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/43/3/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd16.html#GaudioM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/WatsonWGV01">
<opus:last_modified_date>2003-06-03</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/II:Paul_Watson.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Willett:Peter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gillet:Valerie_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/v/Verdonk:Marcel_L=.html" />
<opus:title>Calculating the knowledge-based similarity of functional groups using crystallographic data.</opus:title>
<opus:pages>835-857</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>9</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/35/5/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd15.html#WatsonWGV01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/IwaseH99">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/i/Iwase:Kazuhiko.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hirono:Shuichi.html" />
<opus:title>Estimation of active conformations of drugs by a new molecular superposing procedure.</opus:title>
<opus:pages>499-512</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>13</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/17/1/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd13.html#IwaseH99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/DinanHF99">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dinan:Laurence.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hormann:Robert_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Fujimoto:Ted.html" />
<opus:title>An extensive ecdysteroid CoMFA.</opus:title>
<opus:pages>185-207</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>13</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/13/1/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd13.html#DinanHF99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/NambaLSA01">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Namba:Adriana_M=.html" />
<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/s/Silva:Gil_Valdo_Jos=eacute=_da.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Alem=aacute=n:Carlos.html" />
<opus:title>Force-field parametrization and molecular dynamics simulations of p-menthan-3, 9-diols: a family of amphiphilic compounds derived from terpenoids.</opus:title>
<opus:pages>235-245</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/29/3/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd15.html#NambaLSA01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/WoolfreyAD98">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Woolfrey:John_R=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Avery:Mitchell_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Doweyko:Arthur_M=.html" />
<opus:title>Comparison of 3D quantitative structure-activity relationship methods: Analysis of the in vitro antimalarial activity of 154 artemisinin analogues by hypothetical active-site lattice and comparative molecular field analysis.</opus:title>
<opus:pages>165-181</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/5/1/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd12.html#WoolfreyAD98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/UngerS93">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/u/Unger:Ron.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sussman:Joel_L=.html" />
<opus:title>The importance of short structural motifs in protein structure analysis.</opus:title>
<opus:pages>457-472</opus:pages>
<opus:year>1993</opus:year>
<opus:volume>7</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd7.html#UngerS93</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/AllenCGP99">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Allen:Mark_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cockcroft:Xiao_Ling_Fan.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gruetter:Markus_G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Priestle:John_P=.html" />
<opus:title>A model for the binding of low molecular weight inhibitors to the active site of thrombin.</opus:title>
<opus:pages>579-588</opus:pages>
<opus:year>1999</opus:year>
<opus:volume>13</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/18/4/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd13.html#AllenCGP99</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/BuzkoBS02">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Buzko:Oleksandr_V=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bishop:Anthony_C=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Shokat:Kevan_M=.html" />
<opus:title>Modified AutoDock for accurate docking of protein kinase inhibitors.</opus:title>
<opus:pages>113-127</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/41/5/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd16.html#BuzkoBS02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/MierkeHK94">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mierke:Dale_F=.html" />
<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/k/Kessler:Horst.html" />
<opus:title>Coupling constants agian: Experimental restraints in structure refinement.</opus:title>
<opus:pages>29-40</opus:pages>
<opus:year>1994</opus:year>
<opus:volume>8</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd8.html#MierkeHK94</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/DoytchinovaF02">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Doytchinova:Irini_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Flower:Darren_R=.html" />
<opus:title>A Comparative Molecular Similarity Index Analysis (CoMSIA) study identifies an HLA-A2 binding supermotif.</opus:title>
<opus:pages>535-544</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>8-9</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/46/2/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd16.html#DoytchinovaF02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/ElkinZHJ00">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Elkin:Carl_D=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zuccola:Harmon_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hogle:James_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Joseph=McCarthy:Diane.html" />
<opus:title>Computational design of d-peptide inhibitors of hepatitis delta antigen dimerization.</opus:title>
<opus:pages>705-718</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>14</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>8</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/26/2/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd14.html#ElkinZHJ00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/MariamC97">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mariam:Yitbarek_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Chantranupong:Lek.html" />
<opus:title>Electron affinities of p-benzoquinone, p-benzoquinone imine and p-benzoquinone diimine, and spin densities of their p-benzosemiq.</opus:title>
<opus:pages>345-356</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>11</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/2/4/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd11.html#MariamC97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/LozanoPCGCGS00">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lozano:Juan_Jos=eacute=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pastor:Manuel.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Cruciani:Gabriele.html" />
<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/c/Centeno:Nuria_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gago:Federico.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sanz:Ferran.html" />
<opus:title>3D-QSAR methods on the basis of ligand-receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligands.</opus:title>
<opus:pages>341-353</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>14</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/22/3/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd14.html#LozanoPCGCGS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/MariamS96">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Mariam:Yitbarek_H=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Sawyer:Alesia.html" />
<opus:title>A computational study on the relative reactivity of reductively activated 1, 4-benzoquinone and its isoelectronic analogs.</opus:title>
<opus:pages>441-460</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd10.html#MariamS96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/ThornerWWT97">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Thorner:David_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Willett:Peter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wright:P=_Matthew.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Taylor:Robin.html" />
<opus:title>Similarity searching in files of three-dimensional chemical structures: Representation and searching of molecular electrostatic potentials using field-graphs.</opus:title>
<opus:pages>163-174</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>11</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/16/7/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd11.html#ThornerWWT97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/EkinsBSH02">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/e/Ekins:Sean.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Boulanger:Bruno.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Swaan:Peter_W=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hupcey:Maggie_A=_Z=.html" />
<opus:title>Towards a new age of virtual ADME/TOX and multidimensional drug discovery.</opus:title>
<opus:pages>381-401</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5-6</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/44/8/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd16.html#EkinsBSH02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/HannongbuaLL96">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hannongbua:Supa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lawtrakul:Luckhana.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Limtrakul:Jumras.html" />
<opus:title>Structure-activity correlation study of HIV-1 inhibitors: Electronic and molecular parameters.</opus:title>
<opus:pages>145-152</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd10.html#HannongbuaLL96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/HannongbuaPP01">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hannongbua:Supa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Prasithichokekul:Sirikanok.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Pungpo:Pornpan.html" />
<opus:title>Conformational analysis of nevirapine, a non-nucleoside HIV-1 reverse transcriptase inhibitor, based on quantum mechanical calculations.</opus:title>
<opus:pages>997-1004</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>11</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/37/2/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd15.html#HannongbuaPP01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/DavidAFM02">
<opus:last_modified_date>2003-03-18</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/a/Amara:Patricia.html" />
<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/m/Major:Fran=ccedil=ois.html" />
<opus:title>Parametrization of a force field for metals complexed to biomacromolecules: applications to Fe(II), Cu(II) and Pb(II).</opus:title>
<opus:pages>635-651</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>8-9</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/46/8/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd16.html#DavidAFM02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/HenriquesRR97">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Henriques:Elsa_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ramos:Maria_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reynolds:Christopher_A=.html" />
<opus:title>Inclusion of conserved buried water molecules in the model structure of rat submaxillary kallikrein.</opus:title>
<opus:pages>547-556</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>11</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/3/3/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd11.html#HenriquesRR97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/HenriquesRR98">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Henriques:Elsa_F=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ramos:Maria_J=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Reynolds:Christopher_A=.html" />
<opus:title>Inclusion of conserved buried water molecules in the model structure of rat submaxillary kallikrein.</opus:title>
<opus:pages>547-556</opus:pages>
<opus:year>1998</opus:year>
<opus:volume>12</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/3/3/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd12.html#HenriquesRR98</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/Dauber-OsguthorpeMO96">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dauber=Osguthorpe:Pnina.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Maunder:Colette_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/o/Osguthorpe:David_J=.html" />
<opus:title>Molecular dynamics: Deciphering the data.</opus:title>
<opus:pages>177-185</opus:pages>
<opus:year>1996</opus:year>
<opus:volume>10</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>3</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd10.html#Dauber-OsguthorpeMO96</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/MelaniGAB01">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Melani:Fabrizio.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Gratteri:Paola.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Adamo:Michele.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Bonaccini:Claudia.html" />
<opus:title>FILO (Field Interaction Ligand Optimization): A simplex strategy for searching the optimal ligand interaction field in drug design.</opus:title>
<opus:pages>57-66</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>1</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/27/4/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd15.html#MelaniGAB01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/AfzeliusMKAZ02">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Afzelius:Lovisa.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/m/Masimirembwa:Collen_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Karl=eacute=n:Anders.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/a/Andersson:Tommy_B=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/z/Zamora:Ismael.html" />
<opus:title>Discriminant and quantitative PLS analysis of competitive CYP2C9 inhibitors versus non-inhibitors using alignment independent GRIND descriptors.</opus:title>
<opus:pages>443-458</opus:pages>
<opus:year>2002</opus:year>
<opus:volume>16</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>7</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/45/1/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd16.html#AfzeliusMKAZ02</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/SchleiferT00">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schleifer:Klaus=J=uuml=rgen.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Tot:E=.html" />
<opus:title>Pharmacophore modelling of structurally unusual diltiazem mimics at L-type calcium channels.</opus:title>
<opus:pages>427-433</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>14</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/23/9/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd14.html#SchleiferT00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/BoydBNH95">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Boyd:Susan_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/b/Beverley:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Norskov:Leif.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Hubbard:Roderick_E=.html" />
<opus:title>Characterising the geometric diversity of functional groups in chemical databases.</opus:title>
<opus:pages>417-424</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd9.html#BoydBNH95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/FroimowitzWRG00">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Froimowitz:Mark.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Wu:Kuo=Ming.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Rodrigo:Jason.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/George:Clifford.html" />
<opus:title>Conformational preferences of the potent dopamine reuptake blocker BTCP and its analogs and their incorporation into a pharmacophore model.</opus:title>
<opus:pages>135-146</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>14</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>2</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/20/6/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd14.html#FroimowitzWRG00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/KlamtEH01">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Klamt:Andreas.html" />
<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:title>COSMO-RS: A novel view to physiological solvation and partition questions.</opus:title>
<opus:pages>355-365</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>4</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/30/2/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd15.html#KlamtEH01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/SchneiderLSS00">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schneider:Gisbert.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Man=Ling.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Stahl:Martin.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schneider:Petra.html" />
<opus:title>De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks.</opus:title>
<opus:pages>487-494</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>14</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>5</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/23/7/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd14.html#SchneiderLSS00</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/JonesWG95">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jones:Gareth.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/w/Willett:Peter.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Glen:Robert_C=.html" />
<opus:title>A genetic algorithm for flexible molecular overlay and pharmacophore elucidation.</opus:title>
<opus:pages>532-549</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd9.html#JonesWG95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/JaegerPT95">
<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/j/Jaeger:Edward_P=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/p/Peterson:Melissa_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/t/Treasurywala:Adi_M=.html" />
<opus:title>Conformational energy downward driver (CEDD): Characterization and calibration of the method.</opus:title>
<opus:pages>55-64</opus:pages>
<opus:year>1995</opus:year>
<opus:volume>9</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>1</opus:number>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd9.html#JaegerPT95</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/HeadRLFJCKd01">
<opus:last_modified_date>2003-03-18</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/h/Head:Martha_S=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/r/Ryan:M=_Dominic.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/l/Lee:Dennis.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/f/Feng:Yanhong.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Janson:Cheryl_A=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/c/Concha:Nestor_O=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/k/Keller:Paul_M=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/j/Jr=:Walter_E=_deWolf.html" />
<opus:title>Structure-based combinatorial library design: Discovery of non-peptidic inhibitors of caspases 3 and 8.</opus:title>
<opus:pages>1105-1117</opus:pages>
<opus:year>2001</opus:year>
<opus:volume>15</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>12</opus:number>
<opus:ee>http://ipsapp008.lwwonline.com/content/getfile/4830/39/4/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd15.html#HeadRLFJCKd01</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/SchaftenaarN00a">
<opus:last_modified_date>2004-11-10</opus:last_modified_date>
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/s/Schaftenaar:G=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/n/Noordik:Jan_H=.html" />
<opus:title>The effect of isodensity surface sampling on ESP derived charges and the effect of adding bondcenters on DMA derived charges.</opus:title>
<opus:pages>233-242</opus:pages>
<opus:year>2000</opus:year>
<opus:volume>14</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>3</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/21/2/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd14.html#SchaftenaarN00a</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/WalkerKDG97">
<opus:last_modified_date>2003-03-18</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/k/Kopka:Mary_L=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/d/Dickerson:Richard_E=.html" />
<opus:author rdf:resource="http://www.informatik.uni-trier.de/~ley/db/indices/a-tree/g/Goodsell:David_S=.html" />
<opus:title>Design of stapled DNA-minor-groove-binding molecules with a mutable atom simulated annealing method.</opus:title>
<opus:pages>539-546</opus:pages>
<opus:year>1997</opus:year>
<opus:volume>11</opus:volume>
<opus:journal_name>Journal of Computer-Aided Molecular Design</opus:journal_name>
<opus:number>6</opus:number>
<opus:ee>http://ipsapp007.lwwonline.com/content/getfile/4830/3/4/abstract.htm</opus:ee>
<rdfs:seeAlso>http://www.informatik.uni-trier.de/~ley/db/journals/jcamd/jcamd11.html#WalkerKDG97</rdfs:seeAlso>
</opus:Article>

<opus:Article rdf:about="http://dblp.uni-trier.de/rec/bibtex/journals/jcamd/WalkerKDG98">
<opus:last_modified_date>2003-03-18</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/k/Kopka:Mary_L=.html" /