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Non-Markovian modeling of protein folding
We extract the folding free energy landscape and the time-dependent friction function, the two ingredients of the generalized Langevin equation (GLE), from explicit-water molecular dynamics (MD) simulations of the [Formula: see text]-helix forming polypeptide [Formula: see text] for a one-dimensiona...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
National Academy of Sciences
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8346879/ https://www.ncbi.nlm.nih.gov/pubmed/34326249 http://dx.doi.org/10.1073/pnas.2023856118 |