Predicting GPCR promiscuity using binding site features

Journal of Chemical Information and Modeling

Volumn 54, Issue 1, 2014, Pages 184-194

  Levit, Anat ^a   Beuming, Thijs ^b   Krilov, Goran ^b   Sherman, Woody ^b   Niv, Masha Y ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b SCHRÖDINGER INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ANALYSIS; COVALENT BONDS; HYDROGEN BONDS; LIGANDS; PHYSICOCHEMICAL PROPERTIES; PROTEINS; SULFUR COMPOUNDS;

CHEMICAL DIVERSITY; CHEMICAL VARIABILITY; ENERGETIC PROPERTIES; EXTRACELLULAR REGION; G PROTEIN COUPLED RECEPTORS; HYDROGEN BOND DONORS; PREDICTIVE CAPABILITIES; THERAPEUTIC TARGETS;

BINDING SITES;

G PROTEIN COUPLED RECEPTOR; LIGAND;

ANIMAL; ANTAGONISTS AND INHIBITORS; ARTIFICIAL INTELLIGENCE; BINDING SITE; BIOLOGY; CHEMICAL PHENOMENA; CHEMICAL STRUCTURE; CHEMISTRY; HUMAN; METABOLISM; PRINCIPAL COMPONENT ANALYSIS; PROTEIN CONFORMATION; PROTEIN DATABASE; REGRESSION ANALYSIS; STATISTICAL MODEL; X RAY CRYSTALLOGRAPHY;

ANIMALS; ARTIFICIAL INTELLIGENCE; BINDING SITES; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; HUMANS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LEAST-SQUARES ANALYSIS; LIGANDS; LINEAR MODELS; MODELS, MOLECULAR; PRINCIPAL COMPONENT ANALYSIS; PROTEIN CONFORMATION; RECEPTORS, G-PROTEIN-COUPLED;

EID: 84893342003     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400552z     Document Type: Article

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