Non-Markov-Type Analysis and Diffusion Map Analysis for Molecular Dynamics Trajectory of Chignolin at a High Temperature

We apply the non-Markov-type analysis of state-to-state transitions to nearly microsecond molecular dynamics (MD) simulation data at a folding temperature of a small artificial protein, chignolin, and we found that the time scales obtained are consistent with our previous result using the weighted e...

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Detalles Bibliográficos
Autores principales: Fujisaki, Hiroshi, Suetani, Hiromichi, Maragliano, Luca, Mitsutake, Ayori
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9410030/
https://www.ncbi.nlm.nih.gov/pubmed/36013367
http://dx.doi.org/10.3390/life12081188

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9410030/
https://www.ncbi.nlm.nih.gov/pubmed/36013367
http://dx.doi.org/10.3390/life12081188

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