Binding affinity prediction for protein-ligand complexes based on β contacts and B factor

Journal of Chemical Information and Modeling

Volumn 53, Issue 11, 2013, Pages 3076-3085

  Liu, Qian ^a   Kwoh, Chee Keong ^b   Li, Jinyan ^a  

^a UNIVERSITY OF TECHNOLOGY SYDNEY   (Australia)

^b NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BINDING ENERGY; COMPLEXATION; CORRELATION METHODS; DECISION TREES; FORECASTING; FUNCTION EVALUATION; LIGANDS; METAL IONS; METALS; PETROLEUM RESERVOIR EVALUATION; PHYSICOCHEMICAL PROPERTIES; RANDOM FORESTS; STATISTICAL TESTS;

ACCURATE PREDICTION; DETERMINATION OF PROTEINS; EVALUATION FRAMEWORK; PEARSON'S CORRELATION COEFFICIENTS; PREDICTION PERFORMANCE; PROTEIN-LIGAND BINDING AFFINITIES; PROTEIN-LIGAND COMPLEXES; PROTEIN-LIGAND DOCKING;

PROTEINS;

LIGAND; PROTEIN;

ALGORITHM; ARTICLE; ARTIFICIAL INTELLIGENCE; BINDING SITE; CHEMISTRY; DECISION TREE; DRUG DESIGN; HYDROGEN BOND; METHODOLOGY; MOLECULAR DOCKING; PROTEIN BINDING; PROTEIN DATABASE; PROTEIN DOMAIN; PROTEIN SECONDARY STRUCTURE; THERMODYNAMICS;

ALGORITHMS; ARTIFICIAL INTELLIGENCE; BINDING SITES; DATABASES, PROTEIN; DECISION TREES; DRUG DESIGN; HYDROGEN BONDING; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN INTERACTION DOMAINS AND MOTIFS; PROTEIN STRUCTURE, SECONDARY; PROTEINS; RESEARCH DESIGN; THERMODYNAMICS;

EID: 84888606432     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400450h     Document Type: Article

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