Knowledge-based scoring functions in drug design: 2. can the knowledge base be enriched?

Journal of Chemical Information and Modeling

Volumn 51, Issue 2, 2011, Pages 386-397

  Shen, Qiancheng ^a   Xiong, Bing ^a   Zheng, Mingyue ^a   Luo, Xiaomin ^a   Luo, Cheng ^a   Liu, Xian ^a   Du, Yun ^a   Li, Jing ^a   Zhu, Weiliang ^a   Shen, Jingkang ^a   Jiang, Hualiang ^a,b  

^a SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

^b EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; COMPLEXATION; DRUG PRODUCTS; FORECASTING; KNOWLEDGE ACQUISITION; LIGANDS; PROTEINS;

BINDING AFFINITIES; COMPUTATIONAL PREDICTIONS; COMPUTER AIDED DRUG DESIGN; CORRELATION COEFFICIENT; NEAR-NATIVE CONFORMATIONS; PROTEIN-LIGAND COMPLEXES; SCORING FUNCTIONS; STRUCTURAL INFORMATION;

KNOWLEDGE BASED SYSTEMS;

LIGAND; PROTEIN;

ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; DATA MINING; DRUG DESIGN; METABOLISM; METHODOLOGY; PROTEIN CONFORMATION; PROTEIN DATABASE;

COMPUTATIONAL BIOLOGY; DATA MINING; DATABASES, PROTEIN; DRUG DESIGN; LIGANDS; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEINS;

EID: 79952153984     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100343j     Document Type: Article

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