Computational modeling of human coreceptor CCR5 antagonist as a HIV-1 entry inhibitor: Using an integrated homology modeling, docking, and membrane molecular dynamics simulation analysis approach

Journal of Biomolecular Structure and Dynamics

Volumn 31, Issue 11, 2013, Pages 1251-1276

  Gadhe, Changdev G ^a   Kothandan, Gugan ^a   Cho, Seung Joo ^a  

^a Chosun University   (South Korea)

Author keywords

CCR5; docking; HIV 1; homology modeling; MD simulation

Indexed keywords

AMIDE; CHEMOKINE RECEPTOR CCR5; CHEMOKINE RECEPTOR CCR5 ANTAGONIST; HUMAN IMMUNODEFICIENCY VIRUS FUSION INHIBITOR; OXIMINO DERIVATIVE; PIPERIDINE DERIVATIVE; PIPERIDINO DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; DRUG STRUCTURE; HUMAN IMMUNODEFICIENCY VIRUS 1; HYDROGEN BOND; HYDROPHOBICITY; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SEQUENCE ANALYSIS; STRUCTURAL HOMOLOGY; STRUCTURE ACTIVITY RELATION;

AMINO ACID SEQUENCE; CRYSTALLOGRAPHY, X-RAY; CYCLIC N-OXIDES; HIV-1; HUMANS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PIPERIDINES; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; RECEPTORS, CCR5; VIRUS INTERNALIZATION;

EID: 84884154491     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.2012.732342     Document Type: Article

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