Development of the knowledge-based and empirical combined scoring algorithm (KECSA) to score protein-ligand interactions

Journal of Chemical Information and Modeling

Volumn 53, Issue 5, 2013, Pages 1073-1083

  Zheng, Zheng ^a   Merz, Kenneth M ^a  

^a University of Florida ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENCHMARKING; COMPLEXATION; KNOWLEDGE ACQUISITION; LIGANDS; MEAN SQUARE ERROR; PROTEINS;

CORRELATION COEFFICIENT; PAIRWISE INTERACTION; PROTEIN-LIGAND COMPLEXES; PROTEIN-LIGAND INTERACTIONS; ROOT MEAN SQUARE ERRORS; SCORING ALGORITHMS; STATISTICAL POTENTIAL; VALIDATION RESULTS;

KNOWLEDGE BASED SYSTEMS;

LIGAND; PROTEIN; PROTEIN BINDING;

ALGORITHM; ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM; METHODOLOGY; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN DATABASE; PROCEDURES;

ALGORITHMS; COMPUTATIONAL BIOLOGY; DATABASES, PROTEIN; LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS;

EID: 84878201814     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300619x     Document Type: Article

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