Structure-based prediction of g-protein-coupled receptor ligand function: A β-adrenoceptor case study

Journal of Chemical Information and Modeling

Volumn 55, Issue 5, 2015, Pages 1045-1061

  Kooistra, Albert J ^a   Leurs, Rob ^a   De Esch, Iwan J P ^a   De Graaf, Chris ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; FORECASTING; LIGANDS; PROTEINS; STRUCTURAL OPTIMIZATION;

FALSE POSITIVE RATES; G-PROTEIN COUPLED RECEPTORS; OPTIMAL STRUCTURES; PROTEIN CONFORMATION; PROTEIN-LIGAND INTERACTIONS; SELECTIVE ENRICHMENT; STRUCTURE DETERMINATION; SYSTEMATIC ANALYSIS;

CRYSTAL STRUCTURE;

BETA 1 ADRENERGIC RECEPTOR; BETA 1 ADRENERGIC RECEPTOR BLOCKING AGENT; BETA 1 ADRENERGIC RECEPTOR STIMULATING AGENT; BETA 2 ADRENERGIC RECEPTOR; BETA 2 ADRENERGIC RECEPTOR BLOCKING AGENT; BETA 2 ADRENERGIC RECEPTOR STIMULATING AGENT; LIGAND;

ANIMAL; BIOLOGY; CHEMISTRY; HUMAN; METABOLISM; MOLECULAR DOCKING; PRECLINICAL STUDY; PROCEDURES; PROTEIN CONFORMATION; X RAY CRYSTALLOGRAPHY;

ADRENERGIC BETA-1 RECEPTOR AGONISTS; ADRENERGIC BETA-1 RECEPTOR ANTAGONISTS; ADRENERGIC BETA-2 RECEPTOR AGONISTS; ADRENERGIC BETA-2 RECEPTOR ANTAGONISTS; ANIMALS; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; DRUG EVALUATION, PRECLINICAL; HUMANS; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN CONFORMATION; RECEPTORS, ADRENERGIC, BETA-1; RECEPTORS, ADRENERGIC, BETA-2;

EID: 84930227130     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/acs.jcim.5b00066     Document Type: Article

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