| Literature DB >> 19569617 |
Gurpreet Singh1, Ivan Brovchenko, Alla Oleinikova, Roland Winter.
Abstract
The aggregation of amyloidogenic peptides in liquid water is studied at various temperatures by replica exchange molecular dynamics (REMD) simulations. The formation of a peptide aggregate upon decreasing the temperature reveals features typical for a first-order demixing phase transition, which is smeared out due to the finite size of the simulation box. Various properties of the ensemble of peptides were used to describe the temperature-induced demixing phase transition, which was found to occur at about 375 K. The hydrational and volumetric properties of the peptides and their aggregates are analyzed.Entities:
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Year: 2009 PMID： 19569617 DOI： 10.1021/jp901144v
Source DB: PubMed Journal: J Phys Chem B ISSN： 1520-5207 Impact factor: 2.991