A number of diseases, known as amyloid diseases, are associated with pathological protein folding. Incorrectly or partially folded peptides or proteins can self-assemble into a variety of neurotoxic aggregate species, ranging from small soluble oligomers to amyloid fibrils. I will discuss fully atomic simulations of the early stages of aggregation of the Alzheimer Amyloid-Abeta peptide implicated in Alzheimer’s disease. I will also introduce a novel off-lattice coarse-grained peptide model and discuss the effects of surface interactions on the morphology of the resulting aggregates.
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