Molecular dynamics study of HIV-1 RT-DNA-nevirapine complexes explains NNRTI inhibition and resistance by connection mutations

Proteins: Structure, Function and Bioinformatics

Volumn 82, Issue 5, 2014, Pages 815-829

  Vijayan, R S K ^a,b   Arnold, Eddy ^a,b   Das, Kalyan ^a,b  

^a RUTGERS UNIVERSITY   (United States)

^b RUTGERS UNIVERSITY   (United States)

Author keywords

Allosteric communication; Connection mutations; Drug resistance; N348I; Protein structural network; RNase H; T369I

Indexed keywords

NEVIRAPINE; RIBONUCLEASE H; RNA DIRECTED DNA POLYMERASE; REVERSE TRANSCRIPTASE, HUMAN IMMUNODEFICIENCY VIRUS 1; RNA DIRECTED DNA POLYMERASE INHIBITOR; VIRUS DNA;

ALLOSTERISM; ARTICLE; BASE PAIRING; CONTENT ANALYSIS; CONTROLLED STUDY; CRYSTAL STRUCTURE; DNA CONFORMATION; DNA DRUG COMPLEX; DNA RNA HYBRIDIZATION; GENETIC RESISTANCE; ISOTHERMAL TITRATION CALORIMETRY; MOLECULAR DYNAMICS; MUTANT; MUTATION; NONHUMAN; PRIORITY JOURNAL; PROTEIN STRUCTURE; STRUCTURE ACTIVITY RELATION; ANTAGONISTS AND INHIBITORS; ANTIVIRAL RESISTANCE; BIOCATALYSIS; CHEMISTRY; ENZYME ACTIVE SITE; ENZYMOLOGY; GENETICS; HUMAN IMMUNODEFICIENCY VIRUS 1; PROTEIN TERTIARY STRUCTURE; THERMODYNAMICS;

HUMAN IMMUNODEFICIENCY VIRUS 1;

BIOCATALYSIS; CATALYTIC DOMAIN; DNA, VIRAL; DRUG RESISTANCE, VIRAL; HIV REVERSE TRANSCRIPTASE; HIV-1; MOLECULAR DYNAMICS SIMULATION; MUTATION; NEVIRAPINE; PROTEIN STRUCTURE, TERTIARY; REVERSE TRANSCRIPTASE INHIBITORS; THERMODYNAMICS;

EID: 84898045581     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.24460     Document Type: Article

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