Restrained molecular dynamics simulation
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Alexander L. Perryman; Jung-Hsin Lin; J. Andrew McCammon
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Article
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2006
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Wiley (John Wiley & Sons)
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English
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## Abstract To test the anticorrelated relationship that was recently displayed in conventional molecular dynamics (MD) simulations, several different restrained MD simulations on a wild type and on the V82F/I84V drugโresistant mutant of HIVโ1 protease were performed. This anticorrelated relationsh