Molecular dynamics study of the connection between flap closing and binding of fullerene-based inhibitors of the HIV-1 protease

Biochemistry

Volumn 42, Issue 5, 2003, Pages 1326-1333

  Zhu, Zhongwei ^a   Schuster, David I ^a   Tuckerman, Mark E ^b  

^a NEW YORK UNIVERSITY   (United States)

^b NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; ENZYMES; FREE ENERGY; FULLERENES; HYDROPHOBICITY; VIRUSES;

FLAP CLOSING;

MOLECULAR DYNAMICS;

FULLERENE DERIVATIVE; PROTEINASE INHIBITOR; SAQUINAVIR;

ARTICLE; CONFORMATIONAL TRANSITION; ENZYME ACTIVE SITE; ENZYME INHIBITION; HUMAN; HUMAN IMMUNODEFICIENCY VIRUS 1; HYDROPHOBICITY; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; NONHUMAN; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN INTERACTION; PROTEINASE INHIBITION; STRUCTURE ACTIVITY RELATION; TIME; WATER CONTENT;

BINDING, COMPETITIVE; COMPUTER SIMULATION; FULLERENES; HIV PROTEASE; HIV PROTEASE INHIBITORS; HYDROPHOBICITY; MODELS, CHEMICAL; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; PROTONS; SAQUINAVIR; THERMODYNAMICS; WATER;

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

EID: 0037431964     PISSN: 00062960     EISSN: None     Source Type: Journal    
DOI: 10.1021/bi020496s     Document Type: Article

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