Cargando…
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...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2019
|
| Materias: | |
| 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 |