Role of conformational fluctuations in the enzymatic reaction of HIV-1 protease

Journal of Molecular Biology

Volumn 319, Issue 2, 2002, Pages 567-583

  Piana, Stefano ^a   Carloni, Paolo ^a   Parrinello, Michele ^b,c  

^a SISSA   (Italy)

^b Centro Svizzero Di Calcolo Scientifico   (Switzerland)

^c ETH ZURICH   (Switzerland)

Author keywords

Density functional; HIV 1 protease; Molecular dynamics; Protein flexibility; Reaction mechanism

Indexed keywords

ANTIBIOTIC AGENT; PEPTIDE; PROTEIN; PROTEINASE;

AB INITIO CALCULATION; ANTIBIOTIC RESISTANCE; ARTICLE; CATALYSIS; CONFORMATIONAL TRANSITION; ENZYME ACTIVE SITE; ENZYME DEGRADATION; ENZYME MECHANISM; ENZYME SUBSTRATE; HUMAN IMMUNODEFICIENCY VIRUS 1; MOLECULAR DYNAMICS; MUTATION; PRIORITY JOURNAL; REACTION ANALYSIS; SIMULATION;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 0036306459     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2836(02)00301-7     Document Type: Article

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