Atomic-level investigations on the amyloid-β dimerization process and its driving forces in water.
نویسندگان
چکیده
We report the spontaneous dimerization process of the full-length Aβ42 proteins in water by using unguided, fully atomistic, explicit-water molecular dynamics simulations. Based on the thermodynamic analysis, we demonstrate that Aβ42 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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ورودعنوان ژورنال:
- Physical chemistry chemical physics : PCCP
دوره 14 5 شماره
صفحات -
تاریخ انتشار 2012