Comparison of shape-matching and docking as virtual screening tools
- Auteur
- HAWKINS, Paul C. D1 ; SKILLMAN, A. Geoffrey1 ; NICHOLLS, Anthony1
[1] OpenEye Scientific Software, 3600 Cerrillos Road, Suite 1107, Santa Fe, New Mexico 87507, United States - Source
Journal of medicinal chemistry (Print). 2007, Vol 50, Num 1, pp 74-82, 9 p ; ref : 44 ref
- CODEN
- JMCMAR
- ISSN
- 0022-2623
- Domaine scientifique
- Pharmacology drugs
- Editeur
- American Chemical Society, Washington, DC
- Pays de publication
- United States
- Type de document
- Article
- Langue
- English
- Mot clé (fr)
- Enzyme Etude comparative Fixation ligand Modèle moléculaire Modélisation Prédiction Relation structure activité Récepteur biologique Criblage virtuel
- Mot clé (en)
- Enzyme Comparative study Ligand binding Molecular model Modeling Prediction Structure activity relation Biological receptor virtual screening
- Mot clé (es)
- Enzima Estudio comparativo Fijación ligando Modelo molecular Modelización Predicción Relación estructura actividad Receptor biológico Cribado virtual
- Classification
- Pascal
- 002 Sciences biologiques et medicales / 002B Sciences medicales / 002B02 Pharmacologie. Traitements medicamenteux / 002B02W Divers
- Discipline
- General pharmacology
- Provenance
- Inist-CNRS
- Base de données
- PASCAL
- Identifiant INIST
- 18439747
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
Accès au Document
Installer sur votre navigateur
DOI
10.1021/jm0603365 
https://dx.doi.org/10.1021/jm0603365
"O:13:\"PanistOpenUrl\":36:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000idc\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:17:\"10.1021\/jm0603365\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:67:\"Comparison of shape-matching and docking as virtual screening tools\";s:9:\"\u0000*\u0000jtitle\";s:38:\"Journal of medicinal chemistry (Print)\";s:9:\"\u0000*\u0000stitle\";s:21:\"J. med. chem. (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2007\";s:9:\"\u0000*\u0000volume\";s:2:\"50\";s:8:\"\u0000*\u0000issue\";s:1:\"1\";s:8:\"\u0000*\u0000spage\";s:2:\"74\";s:8:\"\u0000*\u0000epage\";s:2:\"82\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0022-2623\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:7:\"HAWKINS\";s:10:\"\u0000*\u0000aufirst\";s:9:\"Paul C. D\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:2:{i:0;s:21:\"SKILLMAN, A. Geoffrey\";i:1;s:17:\"NICHOLLS, Anthony\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"JMCMAR\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:67:\"Comparison of shape-matching and docking as virtual screening tools\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:1:\"9\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Accès par Panist
"O:12:\"IstexOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:17:\"10.1021\/jm0603365\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:67:\"Comparison of shape-matching and docking as virtual screening tools\";s:9:\"\u0000*\u0000jtitle\";s:38:\"Journal of medicinal chemistry (Print)\";s:9:\"\u0000*\u0000stitle\";s:21:\"J. med. chem. (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2007\";s:9:\"\u0000*\u0000volume\";s:2:\"50\";s:8:\"\u0000*\u0000issue\";s:1:\"1\";s:8:\"\u0000*\u0000spage\";s:2:\"74\";s:8:\"\u0000*\u0000epage\";s:2:\"82\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0022-2623\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:7:\"HAWKINS\";s:10:\"\u0000*\u0000aufirst\";s:9:\"Paul C. D\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:2:{i:0;s:21:\"SKILLMAN, A. Geoffrey\";i:1;s:17:\"NICHOLLS, Anthony\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"JMCMAR\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:67:\"Comparison of shape-matching and docking as virtual screening tools\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:1:\"9\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Accès par Istex
"O:16:\"UnpaywallOpenUrl\":35:{s:8:\"\u0000*\u0000email\";s:27:\"assistance-portail@inist.fr\";s:6:\"\u0000*\u0000fmt\";N;s:6:\"\u0000*\u0000doi\";s:17:\"10.1021\/jm0603365\";s:6:\"\u0000*\u0000pii\";N;s:7:\"\u0000*\u0000pmid\";N;s:9:\"\u0000*\u0000atitle\";N;s:9:\"\u0000*\u0000jtitle\";N;s:9:\"\u0000*\u0000stitle\";N;s:7:\"\u0000*\u0000date\";N;s:9:\"\u0000*\u0000volume\";N;s:8:\"\u0000*\u0000issue\";N;s:8:\"\u0000*\u0000spage\";N;s:8:\"\u0000*\u0000epage\";N;s:8:\"\u0000*\u0000pages\";N;s:7:\"\u0000*\u0000issn\";N;s:8:\"\u0000*\u0000eissn\";N;s:9:\"\u0000*\u0000aulast\";N;s:10:\"\u0000*\u0000aufirst\";N;s:9:\"\u0000*\u0000auinit\";N;s:10:\"\u0000*\u0000auinitm\";N;s:5:\"\u0000*\u0000au\";N;s:9:\"\u0000*\u0000aucorp\";N;s:7:\"\u0000*\u0000isbn\";N;s:8:\"\u0000*\u0000coden\";N;s:8:\"\u0000*\u0000genre\";N;s:7:\"\u0000*\u0000part\";N;s:9:\"\u0000*\u0000btitle\";N;s:8:\"\u0000*\u0000title\";N;s:8:\"\u0000*\u0000place\";N;s:6:\"\u0000*\u0000pub\";N;s:10:\"\u0000*\u0000edition\";N;s:9:\"\u0000*\u0000tpages\";N;s:9:\"\u0000*\u0000series\";N;s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";N;}"
Accès par Unpaywall
"O:16:\"EuropePMCOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:17:\"10.1021\/jm0603365\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:67:\"Comparison of shape-matching and docking as virtual screening tools\";s:9:\"\u0000*\u0000jtitle\";s:38:\"Journal of medicinal chemistry (Print)\";s:9:\"\u0000*\u0000stitle\";s:21:\"J. med. chem. (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2007\";s:9:\"\u0000*\u0000volume\";s:2:\"50\";s:8:\"\u0000*\u0000issue\";s:1:\"1\";s:8:\"\u0000*\u0000spage\";s:2:\"74\";s:8:\"\u0000*\u0000epage\";s:2:\"82\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0022-2623\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:7:\"HAWKINS\";s:10:\"\u0000*\u0000aufirst\";s:9:\"Paul C. D\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:2:{i:0;s:21:\"SKILLMAN, A. Geoffrey\";i:1;s:17:\"NICHOLLS, Anthony\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"JMCMAR\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:67:\"Comparison of shape-matching and docking as virtual screening tools\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:1:\"9\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Accès par Europe PubMed Central
"O:11:\"BaseOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:17:\"10.1021\/jm0603365\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:67:\"Comparison of shape-matching and docking as virtual screening tools\";s:9:\"\u0000*\u0000jtitle\";s:38:\"Journal of medicinal chemistry (Print)\";s:9:\"\u0000*\u0000stitle\";s:21:\"J. med. chem. (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2007\";s:9:\"\u0000*\u0000volume\";s:2:\"50\";s:8:\"\u0000*\u0000issue\";s:1:\"1\";s:8:\"\u0000*\u0000spage\";s:2:\"74\";s:8:\"\u0000*\u0000epage\";s:2:\"82\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0022-2623\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:7:\"HAWKINS\";s:10:\"\u0000*\u0000aufirst\";s:9:\"Paul C. D\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:2:{i:0;s:21:\"SKILLMAN, A. Geoffrey\";i:1;s:17:\"NICHOLLS, Anthony\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"JMCMAR\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:67:\"Comparison of shape-matching and docking as virtual screening tools\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:1:\"9\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Accès par Base Search
"O:12:\"ArXivOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:17:\"10.1021\/jm0603365\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:67:\"Comparison of shape-matching and docking as virtual screening tools\";s:9:\"\u0000*\u0000jtitle\";s:38:\"Journal of medicinal chemistry (Print)\";s:9:\"\u0000*\u0000stitle\";s:21:\"J. med. chem. (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2007\";s:9:\"\u0000*\u0000volume\";s:2:\"50\";s:8:\"\u0000*\u0000issue\";s:1:\"1\";s:8:\"\u0000*\u0000spage\";s:2:\"74\";s:8:\"\u0000*\u0000epage\";s:2:\"82\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0022-2623\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:7:\"HAWKINS\";s:10:\"\u0000*\u0000aufirst\";s:9:\"Paul C. D\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:2:{i:0;s:21:\"SKILLMAN, A. Geoffrey\";i:1;s:17:\"NICHOLLS, Anthony\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"JMCMAR\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:67:\"Comparison of shape-matching and docking as virtual screening tools\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:1:\"9\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Accès par arXiv
