Ligand supported homology modeling and docking evaluation of CCR2: Docked pose selection by consensus scoring

Journal of Molecular Modeling

Volumn 17, Issue 10, 2011, Pages 2707-2716

  Kim, Jong Hoon ^a,b   Lim, Jee Woong ^b,c   Lee, Seung Woo ^b   Kim, Kyoungrak ^b   No, Kyoung Tai ^a,d  

^a Yonsei University   (South Korea)

^b Research and Development Center   (South Korea)

^c Sejong University   (South Korea)

^d Bioinformatics and Molecular Design Research Center (BMDRC)   (South Korea)

Author keywords

CCR2; Consensus scoring; Docking evaluation; GPCR; Ligand supported homology modeling; Virtual screening

Indexed keywords

CHEMOKINE RECEPTOR CCR2; CHEMOKINE RECEPTOR CCR2 ANTAGONIST;

ARTICLE; BINDING SITE; CONSENSUS SCORING; HUMAN; LIGAND BINDING; LIGAND SUPPORTED HOMOLOGY MODELING; MODEL; MOLECULAR DOCKING; MUTAGENESIS; PRIORITY JOURNAL; RECEPTOR BINDING; SCORING SYSTEM; STRUCTURAL HOMOLOGY;

AMINO ACID SEQUENCE; BINDING SITES; CELL LINE, TRANSFORMED; CONSENSUS SEQUENCE; DATABASES, FACTUAL; HEK293 CELLS; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PROTEIN BINDING; PROTEIN CONFORMATION; RECEPTORS, ADRENERGIC, BETA-2; RECEPTORS, CCR2; REPRODUCIBILITY OF RESULTS; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY, AMINO ACID; SMALL MOLECULE LIBRARIES; STRUCTURAL HOMOLOGY, PROTEIN;

EID: 80255127565     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0943-x     Document Type: Article

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