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Methionine Oxidation Changes the Mechanism of Aβ Peptide Binding to the DMPC Bilayer

Using all-atom explicit solvent replica exchange molecular dynamics simulations with solute tempering, we study the effect of methionine oxidation on Aβ10–40 peptide binding to the zwitterionic DMPC bilayer. By comparing oxidized and reduced peptides, we identified changes in the binding mechanism c...

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Bibliografiske detaljer
Udgivet i:Sci Rep
Main Authors: Lockhart, Christopher, Smith, Amy K., Klimov, Dmitri K.
Format: Artigo
Sprog:Inglês
Udgivet: Nature Publishing Group UK 2019
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6459879/
https://ncbi.nlm.nih.gov/pubmed/30976055
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-019-42304-9
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