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Article

Conformational Ensembles of the Wild-Type and S8C Aβ1-42 Dimers.

The journal of physical chemistry. B - 23 Mar 2017

Man Viet Hoang, Nguyen Phuong H, Derreumaux Philippe

Abstract excerpt

We characterized the dimer of the amyloid-β wild-type (WT) peptide, Aβ, of 42 residues and its disulfide-bond-locked double mutant (S8C) by replica exchange molecular dynamics simulations. Aβ dimers are known to be the smallest toxic species in Alzheimer's disease, and the S8C mutant has been shown experimentally to form an exclusive homogeneous and neurotoxic dimer. Our 50 μs all-atom simulations reveal similar...

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Identifiers

PMID: 28245647
DOI: 10.1021/acs.jpcb.7b00267
PMCID: PMC5944329

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 5 Sept 2026. Manifest publication-graph-cohort-2026-09-05.1.

Source receipt: pubmed, retrieved 5 Sept 2026.

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