Molecular dynamics simulation of aluminium binding to amyloid-β and its effect on peptide structure

Multiple microsecond-length molecular dynamics simulations of complexes of Al(III) with amyloid-β (Aβ) peptides of varying length are reported, employing a non-bonded model of Al-coordination to the peptide, which is modelled using the AMBER ff14SB forcefield. Individual simulations reach equilibriu...

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Detalles Bibliográficos
Autores principales: Turner, Matthew, Mutter, Shaun T., Kennedy-Britten, Oliver D., Platts, James A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2019
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6559712/
https://www.ncbi.nlm.nih.gov/pubmed/31185053
http://dx.doi.org/10.1371/journal.pone.0217992

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6559712/
https://www.ncbi.nlm.nih.gov/pubmed/31185053
http://dx.doi.org/10.1371/journal.pone.0217992

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