Large-scale conformational sampling of proteins using temperature- accelerated molecular dynamics

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

Volumn 107, Issue 11, 2010, Pages 4961-4966

  Abrams, Cameron F ^a   Vanden Eijnden, Eric ^b  

^a Drexel University   (United States)

^b NEW YORK UNIVERSITY   (United States)

Author keywords

Biophysical simulation; Collective variables; Domain motion; Free energy

Indexed keywords

ANTIBODY; CD4 ANTIGEN; GLYCOPROTEIN GP 120; PROTEIN;

ARTICLE; ATOM; CONFORMATIONAL TRANSITION; ENERGY; HUMAN IMMUNODEFICIENCY VIRUS 1; MOLECULAR DYNAMICS; NONHUMAN; PRIORITY JOURNAL; PROTEIN CONFORMATION; SAMPLING; SIMULATION; TEMPERATURE;

CHAPERONIN 60; CRYSTALLOGRAPHY, X-RAY; ESCHERICHIA COLI; HIV ENVELOPE PROTEIN GP120; MOLECULAR DYNAMICS SIMULATION; PROTEIN STRUCTURE, SECONDARY; PROTEIN SUBUNITS; TEMPERATURE;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 77950448255     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.0914540107     Document Type: Article

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