HIV-1 protease flaps spontaneously close to the correct structure in simulations following manual placement of an inhibitor into the open state

Journal of the American Chemical Society

Volumn 128, Issue 9, 2006, Pages 2812-2813

  Hornak, Viktor ^a   Okur, Asim ^a   Rizzo, Robert C ^b,c   Simmerling, Carlos ^a,c  

^a STONY BROOK UNIVERSITY   (United States)

^b USA   (United States)

^c BROOKHAVEN NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

PROTEINASE;

ARTICLE; CRYSTAL STRUCTURE; ENZYME CONFORMATION; ENZYME STRUCTURE; HYDROGEN BOND; MOLECULAR INTERACTION; SIMULATION; X RAY CRYSTALLOGRAPHY;

AZEPINES; BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; HIV PROTEASE; HIV PROTEASE INHIBITORS; HIV-1; MODELS, CHEMICAL; MODELS, MOLECULAR; PROTEIN FOLDING; UREA; WATER;

EID: 33644948688     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja058211x     Document Type: Article

References (8)

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