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| Contribution to a book | FZJ-2026-03327 |
; ; ;
2026
Elsevier
New York, NY [u.a.]
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Please use a persistent id in citations: doi:10.1016/bs.mie.2026.01.031
Abstract: Protein–membrane interactions are increasingly recognized as key factors in amyloid-related pathologies, where amyloid proteins associate with lipid bilayers in ways that influence aggregation pathways and cytotoxic effects. Molecular dynamics (MD) simulations have become essential tools for investigating the molecular mechanisms underlying these interactions. This chapter presents advanced methodologies for simulating amyloid–membrane systems, using a hexameric amyloid-β peptide barrel inserted into a neuronal membrane as an example, and provides practical guidance for system setup, simulation execution, and trajectory analysis.
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