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Atomic-level investigations on the amyloid-beta dimerization process and its driving forces in water

Authors
Chong, Song-HoHam, Sihyun
Issue Date
Dec-2012
Publisher
ROYAL SOC CHEMISTRY
Citation
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.14, no.5, pp 1573 - 1575
Pages
3
Journal Title
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume
14
Number
5
Start Page
1573
End Page
1575
URI
https://scholarworks.sookmyung.ac.kr/handle/2020.sw.sookmyung/12408
DOI
10.1039/c2cp23326f
ISSN
1463-9076
1463-9084
Abstract
We report the spontaneous dimerization process of the full-length A beta 42 proteins in water by using unguided, fully atomistic, explicit-water molecular dynamics simulations. Based on the thermodynamic analysis, we demonstrate that A beta 42 dimerization in water occurs via a two-step nucleation-accommodation mechanism driven by water-induced force and by protein internal force, respectively.
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