Correlation between performance of QM/MM docking and simple classification of binding sites

Journal of Chemical Information and Modeling

Volumn 49, Issue 10, 2009, Pages 2382-2387

  Chung, Jae Yoon ^a,b   Hah, Jung Mi ^b   Cho, Art E ^a  

^a Korea University   (South Korea)

^b Korea Institute of Science and Technology   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROPHILICITY; MOLECULAR MODELING; QUANTUM THEORY; SOFTWARE TESTING;

CHARACTER VALUES; DOCKING PROGRAMS; FURTHER DEVELOPMENT; HYDROPHILIC INTERACTION; HYDROPHILIC/HYDROPHOBIC; HYDROPHOBIC BINDING; PROTEIN DATA BANK; SITE CLASSIFICATION;

BINDING SITES;

LIGAND; PROTEIN;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DRUG SCREENING; HYDROGEN BOND; HYDROPHOBICITY; METABOLISM; METHODOLOGY; PROTEIN DATABASE; QUANTUM THEORY;

BINDING SITES; DATABASES, PROTEIN; DRUG EVALUATION, PRECLINICAL; HYDROGEN BONDING; HYDROPHOBICITY; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEINS; QUANTUM THEORY;

EID: 70350501156     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci900231p     Document Type: Article

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