Exploring the molecular mechanism of cross-resistance to HIV-1 integrase strand transfer inhibitors by molecular dynamics simulation and residue interaction network analysis

Journal of Chemical Information and Modeling

Volumn 53, Issue 1, 2013, Pages 210-222

  Xue, Weiwei ^a   Jin, Xiaojie ^a   Ning, Lulu ^a   Wang, Meixia ^a   Liu, Huanxiang ^b   Yao, Xiaojun ^a,b  

^a LANZHOU UNIVERSITY   (China)

^b LANZHOU UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DISEASES; FREE ENERGY; HYDROPHOBICITY; MOLECULAR DYNAMICS;

COMPARISON AND ANALYSIS; CONFORMATION ANALYSIS; CONFORMATIONAL CHANGE; HUMAN IMMUNODEFICIENCY VIRUS TYPE-1; HYDROPHOBIC INTERACTIONS; INTERACTION NETWORKS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MECHANISM;

VIRUSES;

INTEGRASE; INTEGRASE INHIBITOR; VIRUS DNA;

ANTIVIRAL RESISTANCE; ARTICLE; CHEMISTRY; CONFORMATION; DRUG EFFECT; ENZYMOLOGY; HUMAN IMMUNODEFICIENCY VIRUS 1; METABOLISM; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; THERMODYNAMICS;

DNA, VIRAL; DRUG RESISTANCE, VIRAL; HIV INTEGRASE; HIV INTEGRASE INHIBITORS; HIV-1; MOLECULAR DYNAMICS SIMULATION; NUCLEIC ACID CONFORMATION; PROTEIN CONFORMATION; THERMODYNAMICS;

MLCS; MLOWN;

EID: 84873025050     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300541c     Document Type: Article

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