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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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Publicado en:Sci Rep
Autores principales: Lockhart, Christopher, Smith, Amy K., Klimov, Dmitri K.
Formato: Artigo
Lenguaje:Inglês
Publicado: Nature Publishing Group UK 2019
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Acceso en línea: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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