MELD-accelerated molecular dynamics help determine amyloid fibril structures

Sharma & Dill apply MELD x MD to provide atomistic computational models of a set of amyloid-forming protein fibrils using limited experimental information. Since MELD x MD yields not just single structure but conformational ensembles, their method can also generate polymorphs with similar backbo...

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Auteurs principaux: Bhanita Sharma, Ken A. Dill
Format: article
Langue:EN
Publié: Nature Portfolio 2021
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Accès en ligne:https://doaj.org/article/5641364333064cdf88927f5eed39e407
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