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Molecular dynamics simulations of copper binding to amyloid-β Glu22 mutants

We report microsecond timescale ligand field molecular dynamics simulations of the copper complexes of three known mutants of the amyloid-β peptide, E22G, E22Q and E22K, alongside the naturally occurring sequence. We find that all three mutants lead to formation of less compact structures than the w...

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Pubblicato in:Heliyon
Autori principali: Mutter, Shaun T., Turner, Matthew, Deeth, Robert J., Platts, James A.
Natura: Artigo
Lingua:Inglês
Pubblicazione: Elsevier 2019
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6940626/
https://ncbi.nlm.nih.gov/pubmed/31909253
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.heliyon.2019.e03071
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