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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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Publicat a:Sci Rep
Autors principals: Lockhart, Christopher, Smith, Amy K., Klimov, Dmitri K.
Format: Artigo
Idioma:Inglês
Publicat: Nature Publishing Group UK 2019
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Accés en línia: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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