Binding site analysis of CCR2 through in silico methodologies: Docking, CoMFA, and CoMSIA

Chemical Biology and Drug Design

Volumn 78, Issue 1, 2011, Pages 161-174

  Kothandan, Gugan ^a   Gadhe, Changdev G ^a   Madhavan, Thirumurthy ^a   Cho, Seung J ^a  

^a Chosun University   (South Korea)

Author keywords

3D QSAR; CCR2; Comparative molecular field analysis; Comparative molecular similarity indices analysis; Genetic Algorithm Similarity Program; Pharmacophore

Indexed keywords

CHEMOKINE RECEPTOR CCR2;

ARTICLE; BINDING SITE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; COMPUTER MODEL; DRUG DESIGN; DRUG RECEPTOR BINDING; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PHARMACOPHORE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATIC ELECTRICITY;

AMINO ACID SEQUENCE; BINDING SITES; INHIBITORY CONCENTRATION 50; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, CCR2; SEQUENCE HOMOLOGY, AMINO ACID;

EID: 79958846334     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2011.01095.x     Document Type: Article

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