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MELD-accelerated molecular dynamics help determine amyloid fibril structures

It is challenging to determine the structures of protein fibrils such as amyloids. In principle, Molecular Dynamics (MD) modeling can aid experiments, but normal MD has been impractical for these large multi-molecules. Here, we show that MELD accelerated MD (MELD x MD) can give amyloid structures fr...

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Detalles Bibliográficos
Autores principales: Sharma, Bhanita, Dill, Ken A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8342454/
https://www.ncbi.nlm.nih.gov/pubmed/34354239
http://dx.doi.org/10.1038/s42003-021-02461-y