Article
Weaker N-Terminal Interactions for the Protective over the Causative Aβ Peptide Dimer Mutants.
ACS chemical neuroscience - 20 Jun 2018
Sharma Bhanushee, Ranganathan Srivathsan V, Belfort Georges
Abstract excerpt
Knowing that abeta amyloid peptide (Aβ42) dimers are the smallest and most abundant neurotoxic oligomers for Alzheimer's disease (AD), we used molecular simulations with advanced sampling methods (replica-exchange) to characterize and compare interactions between the N-termini (residues 1-16) of wild type (WT-WT) and five mutant dimers under constrained and unconstrained conditions. The number of contacts and...
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