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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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| Publicado no: | PLoS One |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Public Library of Science
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6559712/ https://ncbi.nlm.nih.gov/pubmed/31185053 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0217992 |
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