Large-scale all-atom molecular dynamics alanine-scanning of IAPP octapeptides provides insights into the molecular determinants of amyloidogenicity

In order to investigate the early phase of the amyloid formation by the short amyloidogenic octapeptide sequence (‘NFGAILSS’) derived from IAPP, we carried out a 100ns all-atom molecular dynamics (MD) simulations of systems that contain 27 peptides and over 30,000 water molecules. The large-scale ca...

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Detalles Bibliográficos
Autores principales: Tambi, Richa, Morimoto, Gentaro, Kosuda, Satoshi, Taiji, Makoto, Kuroda, Yutaka
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6384915/
https://www.ncbi.nlm.nih.gov/pubmed/30792475
http://dx.doi.org/10.1038/s41598-018-38401-w

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6384915/
https://www.ncbi.nlm.nih.gov/pubmed/30792475
http://dx.doi.org/10.1038/s41598-018-38401-w

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