An extensive and diverse set of molecular overlays for the validation of pharmacophore programs

Journal of Chemical Information and Modeling

Volumn 53, Issue 4, 2013, Pages 852-866

  Giangreco, Ilenia ^a   Cosgrove, David A ^a   Packer, Martin J ^a  

^a ASTRAZENECA   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; PHARMACODYNAMICS; PROTEINS; SCAFFOLDS (BIOLOGY);

BINDING AFFINITIES; CRYSTALLOGRAPHIC DATA; DESIGN AND OPTIMIZATION; LIGAND AFFINITY; PROTEIN DATA BANK; PROTEIN TARGETS; STRUCTURAL TYPE; VALIDATION STUDY;

LIGANDS;

LIGAND; PROTEIN;

ALGORITHM; ANIMAL; ARTICLE; BACTERIUM; BINDING SITE; CHEMISTRY; COMPUTER PROGRAM; CONFORMATION; DRUG DESIGN; DRUG DEVELOPMENT; HUMAN; INTERNET; MOLECULAR DOCKING; MOLECULAR LIBRARY; PLANT; PROTEIN BINDING; PROTEIN DATABASE; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ALGORITHMS; ANIMALS; BACTERIA; BINDING SITES; DATABASES, PROTEIN; DRUG DESIGN; DRUG DISCOVERY; HUMANS; INTERNET; LIGANDS; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; PLANTS; PROTEIN BINDING; PROTEINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SMALL MOLECULE LIBRARIES; SOFTWARE;

EID: 84876533782     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400020a     Document Type: Article

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