The flexibility of P-glycoprotein for its poly-specific drug binding from molecular dynamics simulations

Journal of Biomolecular Structure and Dynamics

Volumn 31, Issue 6, 2013, Pages 612-629

  Liu, Ming ^a   Hou, Tingjun ^a   Feng, Zhiwei ^a   Li, Youyong ^a  

^a SOOCHOW UNIVERSITY   (China)

Author keywords

molecular dynamics simulation; multidrug resistance; P glycoprotein; poly specificity; transport mechanism

Indexed keywords

MSBA PROTEIN; MULTIDRUG RESISTANCE PROTEIN; PHENYLALANINE; TYROSINE;

ARTICLE; BINDING SITE; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; DRUG PROTEIN BINDING; HYDROPHOBICITY; LIGAND BINDING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN LOCALIZATION; PROTEIN PROTEIN INTERACTION; PROTEIN SECONDARY STRUCTURE; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY; STRUCTURAL HOMOLOGY;

AMINO ACID SEQUENCE; ANIMALS; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; DRUG RESISTANCE, MULTIPLE; HUMANS; LIGANDS; MICE; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; P-GLYCOPROTEIN; PEPTIDES, CYCLIC; PROTEIN CONFORMATION; SEQUENCE ALIGNMENT;

EID: 84878705648     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.2012.706079     Document Type: Article

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