Articles with "milestoning theory" as a keyword



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The Impact of Protonation on Early Translocation of Anthrax Lethal Factor: Kinetics from Molecular Dynamics Simulations and Milestoning Theory.

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Published in 2017 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.7b07419

Abstract: We report atomically detailed molecular dynamics simulations of the permeation of the lethal factor (LF) N-terminal segment through the anthrax channel. The N-terminal chain is unstructured and leads the permeation process for the LF protein.… read more here.

Keywords: molecular dynamics; anthrax; milestoning theory; protonation ... See more keywords