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Proposing Institution

ICS-6: Structural Biochemistry, FZ Juelich
Project Manager

Prof. Dr. Birgit Strodel
Wilhelm-Johnen-Strasse ICS-6
52428 Jülich
Aberrant protein aggregation is one of the main causes of the onset of many neurodegenerative diseases such as Alzheimer's disease (AD). The peptide most closely related to the etiology of AD isamyloid-beta (AB). The neuronal membrane has been shown to promote AB aggregation. We propose to perform molecular simulations to study AB aggregation in the presence of a lipid bilayer with a 160 Å x 160 Å surface area per leaflet, containing several lipids that are present in neuronal membranes. Enhanced sampling using all-atom Hamiltonian replica exchange molecular dynamics (HREMD) will be performed to adequately explore the conformational space of the AB peptide under the influence of the bilayer. It is our contention that our approach will superlatively describe the yet to be determined role of the neuronal membrane in the oligomerization of the amyloid beta-peptide in AD.

Impressum, Conny Wendler