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Amyloid assembly is dominated by misregistered kinetic traps on an unbiased energy landscape

Atomistic description of protein fibril formation has been elusive due to the complexity and long time scales of the conformational search. Here, we develop a multiscale approach combining numerous atomistic simulations in explicit solvent to construct Markov State Models (MSMs) of fibril growth. Th...

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Библиографические подробности
Опубликовано в: :Proc Natl Acad Sci U S A
Главные авторы: Jia, Zhiguang, Schmit, Jeremy D., Chen, Jianhan
Формат: Artigo
Язык:Inglês
Опубликовано: National Academy of Sciences 2020
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Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC7229673/
https://ncbi.nlm.nih.gov/pubmed/32345723
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1911153117
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