HIV-1 protease molecular dynamics of a wild-type and of the V82F/I84V mutant: Possible contributions to drug resistance and a potential new target site for drugs

Protein Science

Volumn 13, Issue 4, 2004, Pages 1108-1123

  Perryman, Alexander L ^a   Lin, Jung Hsin ^b   McCammon, J Andrew ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b NATIONAL TAIWAN UNIVERSITY   (Taiwan)

Author keywords

Allosteric inhibitor; Drug resistance; Ensemble of conformations; HIV 1 protease; Molecular dynamics; Protein flexibility; Structure based drug design; V82F I84V drug resistant mutant

Indexed keywords

PROTEINASE; PROTEINASE INHIBITOR;

ALLOSTERISM; ANTIBIOTIC RESISTANCE; ARTICLE; CORRELATION ANALYSIS; DRUG BINDING SITE; DRUG DESIGN; DRUG PROTEIN BINDING; ENZYME ACTIVE SITE; ENZYME CONFORMATION; MOLECULAR DYNAMICS; NONHUMAN; PRIORITY JOURNAL; SIMULATION; STRUCTURE ANALYSIS; VIRUS MUTANT; VIRUS STRAIN;

AMINO ACID SUBSTITUTION; BINDING SITES; DRUG DESIGN; DRUG RESISTANCE, VIRAL; HIV PROTEASE; HIV PROTEASE INHIBITORS; HIV-1; HUMANS; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTEIN STRUCTURE, TERTIARY;

HUMAN IMMUNODEFICIENCY VIRUS; HUMAN IMMUNODEFICIENCY VIRUS 1; RNA VIRUSES;

EID: 1842454635     PISSN: 09618368     EISSN: None     Source Type: Journal    
DOI: 10.1110/ps.03468904     Document Type: Article

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