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- Hung, Huynh Minh, et al. Show all 4 Authors
- RSC advances 2017 v.7 no.12 pp. 7346-7357
- Alzheimer disease; Gibbs free energy; amyloid; homeostasis; lipid bilayers; lipids; molecular dynamics; neurotoxicity; peptides; solvents; temperature; van der Waals forces
- ... Alzheimer's disease is characterized by the interaction of neurotoxic Aβ oligomers with cellular membranes, which disturbs ion homeostasis. To determine the putative structures of the transmembrane 3Aβ₁₁–₄₀ oligomer, temperature replica exchange molecular dynamics (REMD) simulations with an explicit solvent have been employed to monitor the structural changes when interaction of the oligomer with ...