Construction and test of ligand decoy sets using MDock: Community structure-activity resource benchmarks for binding mode prediction

Journal of Chemical Information and Modeling

Volumn 51, Issue 9, 2011, Pages 2107-2114

  Huang, Sheng You ^a   Zou, Xiaoqin ^a  

^a UNIVERSITY OF MISSOURI   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; FORECASTING;

BINDING MODES; COMMUNITY STRUCTURES; FLEXIBLE LIGANDS; LIGAND BINDING; NATIVE STRUCTURES; ROOT MEAN SQUARE DEVIATIONS; SCORING FUNCTIONS;

LIGANDS;

LIGAND;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE;

BINDING SITES; LIGANDS; MODELS, MOLECULAR;

EID: 80053322295     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200080g     Document Type: Article

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