3D matched pairs: Integrating ligand- and structure-based knowledge for ligand design and receptor annotation

Journal of Chemical Information and Modeling

Volumn 53, Issue 7, 2013, Pages 1576-1588

  Posy, Shana L ^a   Claus, Brian L ^a   Pokross, Matt E ^a   Johnson, Stephen R ^a  

^a BRISTOL MYERS SQUIBB RESEARCH AND DEVELOPMENT   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ENGINEERING; CHEMISTRY;

ACTIVITY PATTERNS; BINDING POCKETS; CONTEXTUAL INFORMATION; LIGAND STRUCTURE; POSE PREDICTIONS; RECEPTOR BINDING SITE; TRANSFER NETWORK; X RAY CRYSTAL STRUCTURES;

LIGANDS;

LIGAND; MITOGEN ACTIVATED PROTEIN KINASE 14; PROTEIN BINDING;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DRUG DATABASE; DRUG DESIGN; HUMAN; METABOLISM; MOLECULAR GENETICS; PROTEIN BINDING; STRUCTURE ACTIVITY RELATION;

BINDING SITES; DATABASES, PHARMACEUTICAL; DRUG DESIGN; HUMANS; LIGANDS; MITOGEN-ACTIVATED PROTEIN KINASE 14; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR SEQUENCE ANNOTATION; PROTEIN BINDING; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84880552444     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400201k     Document Type: Article

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