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Article

Atomic Mechanisms of Transthyretin Tetramer Dissociation Studied by Molecular Dynamics Simulations.

Journal of chemical information and modeling - 26 Dec 2022

Zhou Shuangyan, Zou Huizhen, Wang Yu, Lo Glenn V, Yuan Shuai

Abstract excerpt

The dissociation of the transthyretin (TTR) tetramer into a monomer is closely related to various TTR amyloidoses in humans. While the tetramer dissociation has been reported to be the rate-limiting step for TTR aggregation, few details are known about the mechanism. Here, molecular dynamics (MD) simulations were performed by combining conventional MD and biased metadynamics to investigate the mechanism for the...

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Identifiers

PMID: 35993568
DOI: 10.1021/acs.jcim.2c00447

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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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