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Article

Unraveling the structural dynamics of Aβ42 monomer: insights from K16A and K16A + K28A mutations through molecular dynamics simulations.

Journal of biomolecular structure & dynamics - 1 Jul 2026

Xia Kui, Tian Weixing, Xu Huifang, Wang Le, Li Xinpeng

Abstract excerpt

Alzheimer's disease is a degenerative disease of the central nervous system that pre-dominantly affects the elderly population. The main reason is that amyloid beta 42 has a strong tendency to aggregate, which easily induces the damage to the central nervous system. It was shown that residues 16 and 28 play a key role in the self-assembly process. Moreover, these studies have revealed that substituting alanine...

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PMID: 40955736
DOI: 10.1080/07391102.2025.2554351

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