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...

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Detalles Bibliográficos
Autores principales: Ayaz, Cihan, Tepper, Lucas, Brünig, Florian N., Kappler, Julian, Daldrop, Jan O., Netz, Roland R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: National Academy of Sciences 2021
Materias:
Physical Sciences
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

Internet

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

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