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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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| Publicado no: | Proc Natl Acad Sci U S A |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2020
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| Assuntos: | |
| Acesso em linha: | 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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