Knowledge-based scoring functions in drug design: 3. A two-dimensional knowledge-based hydrogen-bonding potential for the prediction of protein-ligand interactions

Journal of Chemical Information and Modeling

Volumn 51, Issue 11, 2011, Pages 2994-3004

  Zheng, Mingyue ^a   Xiong, Bing ^a   Luo, Cheng ^a   Li, Shanshan ^a   Liu, Xian ^a   Shen, Qianchen ^a   Li, Jing ^a   Zhu, Weiliang ^a   Luo, Xiaomin ^a   Jiang, Hualiang ^a  

^a SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; KNOWLEDGE BASED SYSTEMS; LIGANDS; PROTEINS;

EMPIRICAL KNOWLEDGE; ENERGY LANDSCAPE; GEOMETRIC CHARACTERISTICS; ORIENTATION DEPENDENT; PREDICTIVE POWER; PROTEIN-LIGAND COMPLEXES; PROTEIN-LIGAND INTERACTIONS; SCORING FUNCTIONS;

HYDROGEN BONDS;

LIGAND; PROTEIN;

ALGORITHM; ARTICLE; BINDING SITE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; DRUG DESIGN; HUMAN; HYDROGEN BOND; KNOWLEDGE BASE; METABOLISM; METHODOLOGY; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN DATABASE; STATISTICS;

ALGORITHMS; BINDING SITES; COMPUTATIONAL BIOLOGY; DATABASES, PROTEIN; DRUG DESIGN; HUMANS; HYDROGEN BONDING; KNOWLEDGE BASES; LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; RESEARCH DESIGN; SOFTWARE;

EID: 82355186287     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci2003939     Document Type: Article

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