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The Impact of Protonation on Early Translocation of Anthrax Lethal Factor: Kinetics From Molecular Dynamics Simulations and Milestoning Theory
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. The simulations are conducted in explicit solvent with Mi...
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| Publicado no: | J Am Chem Soc |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5656527/ https://ncbi.nlm.nih.gov/pubmed/29019235 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jacs.7b07419 |
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