Drug-like density: A method of quantifying the "bindability" of a protein target based on a very large set of pockets and drug-like ligands from the protein data bank

Journal of Chemical Information and Modeling

Volumn 50, Issue 11, 2010, Pages 2029-2040

  Sheridan, Robert P ^a   Maiorov, Vladimir N ^a   Holloway, M Katharine ^a   Cornell, Wendy D ^a   Gao, Ying Duo ^a  

^a MERCK RESEARCH LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITES; HYDROPHOBICITY; LIGANDS; PROTEINS;

ATOMIC RESOLUTION STRUCTURES; CONFORMATIONAL CHANGE; LOCAL NEIGHBORHOODS; POTENTIAL BINDING SITES; PROTEIN DATA BANK; PROTEIN TARGETS; SIMPLE LINEAR REGRESSION; THREE PARAMETERS;

CRYSTAL ATOMIC STRUCTURE;

DRUG; LIGAND; PROTEIN;

ANIMAL; ARTICLE; CATTLE; CHEMICAL PHENOMENA; CHEMICAL STRUCTURE; CHEMISTRY; DRUG DEVELOPMENT; HUMAN; METABOLISM; METHODOLOGY; MOUSE; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN DATABASE;

ANIMALS; CATTLE; DATABASES, PROTEIN; DRUG DISCOVERY; HUMANS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIGANDS; MICE; MODELS, MOLECULAR; PHARMACEUTICAL PREPARATIONS; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS;

EID: 78649523910     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100312t     Document Type: Article

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