A combined quantum/classical molecular dynamics study of the catalytic mechanism of HIV protease

Journal of Molecular Biology

Volumn 261, Issue 3, 1996, Pages 454-469

  Liu, Haiyan ^a   Müller Plathe, Florian ^a   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

Combined simulation; Computer simulation; Enzyme catalysis; HIV protease; Molecular dynamics

Indexed keywords

PROTEINASE; PROTEINASE INHIBITOR;

ARTICLE; ENZYME MECHANISM; ENZYME SUBSTRATE COMPLEX; HUMAN IMMUNODEFICIENCY VIRUS; MOLECULAR DYNAMICS; NONHUMAN; PH; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN STRUCTURE; PROTON TRANSPORT; SIMULATION; X RAY DIFFRACTION;

HUMAN IMMUNODEFICIENCY VIRUS;

EID: 0030598997     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmbi.1996.0476     Document Type: Article

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