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Article

Computational backbone mutagenesis of Abeta peptides: probing the role of backbone hydrogen bonds in aggregation.

The journal of physical chemistry. B - 15 Apr 2010

Takeda Takako, Klimov Dmitri K

Abstract excerpt

Using replica exchange molecular dynamics (REMD) and united atom implicit solvent model we examine the role of backbone hydrogen bonds (HBs) in Abeta aggregation. The importance of HBs appears to depend on the aggregation stage. The backbone HBs have little effect on the stability of Abeta dimers or on their aggregation interface. The HBs also do not play a critical role in initial binding of Abeta peptides to...

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Identifiers

PMID: 20302321
DOI: 10.1021/jp911533q
PMCID: PMC2862262

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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