Normalizing molecular docking rankings using virtually generated decoys

Journal of Chemical Information and Modeling

Volumn 51, Issue 8, 2011, Pages 1817-1830

  Wallach, Izhar ^a,b   Jaitly, Navdeep ^a   Nguyen, Kong ^a   Schapira, Matthieu ^a   Lilien, Ryan ^a,b  

^a UNIVERSITY OF TORONTO   (Canada)

^b UNIVERSITY OF TORONTO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

DIGITAL LIBRARIES; LIBRARIES; MOLECULAR MODELING; PHYSICAL PROPERTIES; PROBABILITY DISTRIBUTIONS;

COMPOUND LIBRARIES; DRUG DISCOVERY RESEARCHES; LARGE SCREENINGS; MOLECULAR DOCKING; NORMALIZED SCORES; SCORING FUNCTIONS; STATE-OF-THE-ART METHODS; VIRTUAL SCREENING;

MOLECULES;

LIGAND; PROTEIN;

ALGORITHM; ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; DATA MINING; DRUG DEVELOPMENT; FACTUAL DATABASE; METHODOLOGY; POSITION WEIGHT MATRIX; PROTEIN BINDING; STATISTICAL MODEL; STATISTICS;

ALGORITHMS; BINDING SITES; CHEMISTRY, PHARMACEUTICAL; DATA MINING; DATABASES, FACTUAL; DRUG DISCOVERY; LIGANDS; MODELS, MOLECULAR; MODELS, STATISTICAL; POSITION-SPECIFIC SCORING MATRICES; PROTEIN BINDING; PROTEINS;

EID: 80051998385     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200175h     Document Type: Article

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