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Article

Side chain interactions can impede amyloid fibril growth: replica exchange simulations of Abeta peptide mutant.

The journal of physical chemistry. B - 3 Sept 2009

Takeda Takako, Klimov Dmitri K

Abstract excerpt

Using replica exchange molecular dynamics, we study the effect of Asp23Tyr mutation on Abeta(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 Abeta(10-40) peptide. Asp23Tyr mutation has a relatively minor influence on the docking of Abeta peptides to the fibril....

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Identifiers

PMID: 19708712
DOI: 10.1021/jp904070w
PMCID: PMC2765228

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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