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Side chain interactions can impede amyloid fibril growth: Replica exchange simulations of Aβ peptide mutant

Using replica exchange molecular dynamics we study the effect of Asp23Tyr mutation on Aβ(10–40) fibril growth. The effect of this mutation is revealed through the computation of free energy landscapes, the distributions of peptide-fibril interactions, and by comparison with the wild-type Aβ(10–40) p...

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Detalhes bibliográficos
Main Authors: Takeda, Takako, Klimov, Dmitri K.
Formato: Artigo
Idioma:Inglês
Publicado em: 2009
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2765228/
https://ncbi.nlm.nih.gov/pubmed/19708712
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp904070w
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