HotLig: A molecular surface-directed approach to scoring protein-ligand interactions

Journal of Chemical Information and Modeling

Volumn 53, Issue 8, 2013, Pages 2181-2195

  Wang, Sheng Hung ^a,c   Wu, Ying Ta ^b   Kuo, Sheng Chu ^d   Yu, John ^a,b,c  

^a INSTITUTE OF CELLULAR AND ORGANISMIC BIOLOGY   (Taiwan)

^b GENOMICS RESEARCH CENTER   (Taiwan)

^c CHANG GUNG MEMORIAL HOSPITAL   (Taiwan)

^d CHINA MEDICAL UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; COMPLEXATION; HYDROGEN BONDS; HYDROPHOBICITY; PROTEINS; STRUCTURAL DESIGN;

ACCURATE PREDICTION; BINDING AFFINITIES; HYDROPHOBIC INTERACTIONS; MOLECULAR SURFACES; PROTEIN-LIGAND COMPLEXES; PROTEIN-LIGAND INTERACTIONS; ROOT MEAN SQUARED DEVIATIONS; SPEARMAN CORRELATION COEFFICIENTS;

LIGANDS;

LIGAND; PROTEIN; PROTEIN BINDING;

ALGORITHM; BIOLOGY; CHEMICAL PHENOMENA; CHEMISTRY; HYDROGEN BOND; METABOLISM; MOLECULAR DOCKING; PROCEDURES; PROTEIN CONFORMATION; SURFACE PROPERTY; THERMODYNAMICS; ARTICLE; METHODOLOGY; PROTEIN BINDING;

ALGORITHMS; COMPUTATIONAL BIOLOGY; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; SURFACE PROPERTIES; THERMODYNAMICS;

EID: 84883218268     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400302d     Document Type: Article

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