Conserved core substructures in the overlay of protein-ligand complexes

Journal of Chemical Information and Modeling

Volumn 51, Issue 8, 2011, Pages 1931-1941

  Finzel, Barry C ^a   Akavaram, Ramprasad ^a   Ragipindi, Aravind ^a   Van Voorst, Jeffrey R ^a   Cahn, Matthew ^b   Davis, Malcolm E ^c   Pokross, Matt E ^c   Sheriff, Steven ^c   Baldwin, Eric T ^c  

^a UNIVERSITY OF MINNESOTA   (United States)

^b BRISTOL MYERS SQUIBB   (United States)

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

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITES; COMPLEXATION; MULTIMEDIA SYSTEMS; PROTEINS;

DISTANCE GEOMETRY; KEY DETERMINANTS; LIGAND-BINDING SITES; PROTEIN-LIGAND COMPLEXES; SEQUENCE SIMILARITY; SPECIFIC BINDING; STRUCTURE BASED DRUG DESIGNS; WEB-BASED INTERFACE;

LIGANDS;

DRUG; LIGAND; PROTEIN KINASE; STAUROSPORINE;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; DATA MINING; DRUG DESIGN; DRUG DEVELOPMENT; ENZYME ACTIVE SITE; ENZYME SPECIFICITY; HUMAN; METABOLISM; METHODOLOGY; MOLECULAR LIBRARY; PROTEIN BINDING; PROTEIN DATABASE; SEQUENCE ALIGNMENT; STRUCTURE ACTIVITY RELATION;

BINDING SITES; CATALYTIC DOMAIN; CHEMISTRY, PHARMACEUTICAL; COMPUTER SIMULATION; DATA MINING; DATABASES, PROTEIN; DRUG DESIGN; DRUG DISCOVERY; HUMANS; LIGANDS; MODELS, MOLECULAR; PHARMACEUTICAL PREPARATIONS; PROTEIN BINDING; PROTEIN KINASES; SEQUENCE ALIGNMENT; SMALL MOLECULE LIBRARIES; SOFTWARE; STAUROSPORINE; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY;

EID: 80051956026     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100475y     Document Type: Article

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