HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations

Proceedings of the National Academy of Sciences of the United States of America

Volumn 103, Issue 4, 2006, Pages 915-920

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

^a STONY BROOK UNIVERSITY   (United States)

^b Stony Brook University   (United States)

^c BROOKHAVEN NATIONAL LABORATORY   (United States)

Author keywords

AIDS HIV protease; Molecular dynamics simulations; Protein dynamics

Indexed keywords

LIGAND; PROTEINASE; UREA;

ARTICLE; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; ENZYME CONFORMATION; HUMAN IMMUNODEFICIENCY VIRUS 1; MOLECULAR DYNAMICS; MOLECULAR MODEL; MOLECULAR STABILITY; NONHUMAN; PRIORITY JOURNAL; SIMULATION;

ACQUIRED IMMUNODEFICIENCY SYNDROME; AMIDES; COMPUTER SIMULATION; HIV PROTEASE; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEIN STRUCTURE, SECONDARY; PROTEINS; TIME FACTORS; UREA; WATER;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 32244437816     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.0508452103     Document Type: Article

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