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Replica exchange molecular dynamics of the thermodynamics of fibril growth of Alzheimer's Aβ(42) peptide

The growth of amyloid fibrils is studied by replica exchange molecular dynamics in an implicit solvent. Our data indicate that extremely long simulation times (at least a few hundred ns) are necessary to study the thermodynamics of fibril elongation in detail. However some aspects of the aggregation...

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Bibliografiske detaljer
Main Authors: Han, Ming, Hansmann, Ulrich H. E.
Format: Artigo
Sprog:Inglês
Udgivet: American Institute of Physics 2011
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3166336/
https://ncbi.nlm.nih.gov/pubmed/21842950
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3617250
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