Binding energy landscape analysis helps to discriminate true hits from high-scoring decoys in virtual screening

Journal of Chemical Information and Modeling

Volumn 50, Issue 10, 2010, Pages 1855-1864

  Wei, Dengguo ^a,b   Zheng, Hao ^b   Su, Naifang ^b   Deng, Minghua ^b   Lai, Luhua ^a,b  

^a PEKING UNIVERSITY   (China)

^b PEKING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BINDERS; COMPLEXATION; LIGANDS; LOGISTIC REGRESSION; PROTEINS; STATISTICAL TESTS; THERMODYNAMIC STABILITY;

AVERAGE BINDING ENERGY; BIOMOLECULAR BINDING; DOCKING SCORING FUNCTION; LINEAR COMBINATIONS; MOLECULAR DOCKING; PROTEIN-LIGAND BINDING AFFINITIES; RECEIVER OPERATOR CHARACTERISTIC CURVES; SCORING FUNCTIONS;

BINDING ENERGY;

CYCLOOXYGENASE 2; ENZYME INHIBITOR; LIGAND; SIALIDASE;

ANIMAL; ARTICLE; BINDING SITE; CHEMISTRY; DRUG DESIGN; ENZYMOLOGY; METABOLISM; MOUSE; ORTHOMYXOVIRUS; PROTEIN BINDING; THERMODYNAMICS;

ANIMALS; BINDING SITES; CYCLOOXYGENASE 2; DRUG DESIGN; ENZYME INHIBITORS; LIGANDS; MICE; NEURAMINIDASE; ORTHOMYXOVIRIDAE; PROTEIN BINDING; THERMODYNAMICS;

EID: 77958565592     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci900463u     Document Type: Article

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