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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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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Tambi, Richa, Morimoto, Gentaro, Kosuda, Satoshi, Taiji, Makoto, Kuroda, Yutaka
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6384915/
https://ncbi.nlm.nih.gov/pubmed/30792475
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-018-38401-w
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