Efficient virtual screening using multiple protein conformations described as negative images of the ligand-binding site

Journal of Chemical Information and Modeling

Volumn 50, Issue 6, 2010, Pages 1005-1011

  Virtanen, Salla I ^a   Pentikäinen, Olli T ^a  

^a UNIVERSITY OF JYVÄSKYLÄ   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; IMAGE ENHANCEMENT; MOLECULES; PROTEINS;

ACTIVE MOLECULES; LIGAND-BINDING SITES; MOLECULAR DOCKING; PROTEIN CONFORMATION; PROTEIN STRUCTURES; SCORING FUNCTIONS; SCREENING METHODS; VIRTUAL SCREENING;

LIGANDS;

LIGAND; PROTEIN;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER GRAPHICS; COMPUTER INTERFACE; COMPUTER PROGRAM; DRUG SCREENING; HYDROGEN BOND; METABOLISM; METHODOLOGY; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN DATABASE; RECEIVER OPERATING CHARACTERISTIC;

BINDING SITES; COMPUTER GRAPHICS; DATABASES, PROTEIN; DRUG EVALUATION, PRECLINICAL; HYDROGEN BONDING; LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; ROC CURVE; SOFTWARE; USER-COMPUTER INTERFACE;

EID: 77954067726     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100121c     Document Type: Article

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