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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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書誌詳細
主要な著者: Takeda, Takako, Klimov, Dmitri K.
フォーマット: Artigo
言語:Inglês
出版事項: 2009
主題:
オンライン・アクセス: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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