Potential and limitations of ensemble docking

Journal of Chemical Information and Modeling

Volumn 52, Issue 5, 2012, Pages 1262-1274

  Korb, Oliver ^a   Olsson, Tjelvar S G ^a   Bowden, Simon J ^a   Hall, Richard J ^b   Verdonk, Marcel L ^b   Liebeschuetz, John W ^a   Cole, Jason C ^a  

^a CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE   (United Kingdom)

^b ASTEX PHARMACEUTICALS   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BIOINFORMATICS; LIGANDS;

DOCKING ALGORITHMS; ENSEMBLE SELECTIONS; POSE PREDICTIONS; PROTEIN ENSEMBLES; PROTEIN STRUCTURES; SAMPLING ACCURACIES; SCORING FUNCTIONS; VIRTUAL SCREENING;

PROTEINS;

LIGAND; PROTEIN;

ALGORITHM; ARTICLE; BINDING SITE; CHEMISTRY; DRUG DELIVERY SYSTEM; DRUG DEVELOPMENT; MOLECULAR LIBRARY;

ALGORITHMS; BINDING SITES; DRUG DELIVERY SYSTEMS; DRUG DISCOVERY; LIGANDS; PROTEINS; SMALL MOLECULE LIBRARIES;

EID: 84861499934     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci2005934     Document Type: Article

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