Structure-Based Virtual Screening of Glycogen Synthase Kinase 3β Inhibitors: Analysis of Scoring Functions Applied to Large True Actives and Decoy Sets

Chemical Biology and Drug Design

Volumn 78, Issue 3, 2011, Pages 378-390

  Osolodkin, Dmitry I ^a   Palyulin, Vladimir A ^a   Zefirov, Nikolay S ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

Chemoinformatics; Glycogen synthase kinase 3 ; Scoring functions; Structure based virtual screening

Indexed keywords

2 (2,4 DICHLOROPHENYL) 3 (1 METHYL 3 INDOLYL)MALEIMIDE; 2 (3 CHLORO 4 HYDROXYANILINO) 3 (2 NITROPHENYL)MALEIMIDE; AR A04418; CT 20026; CT 99021; CYCLIN DEPENDENT KINASE 2; GLYCOGEN SYNTHASE KINASE 3 INHIBITOR; GLYCOGEN SYNTHASE KINASE 3BETA; UNCLASSIFIED DRUG;

ARTICLE; DRUG CONFORMATION; DRUG SCREENING; DRUG STRUCTURE; LIGAND BINDING; MOLECULAR DOCKING; PRIORITY JOURNAL; SCORING SYSTEM;

ALGORITHMS; DRUG DESIGN; ENZYME INHIBITORS; GLYCOGEN SYNTHASE KINASE 3; HUMANS; MODELS, MOLECULAR; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 80051589779     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2011.01159.x     Document Type: Article

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