Multiscale Enhanced Sampling Using Machine Learning

Multiscale enhanced sampling (MSES) allows for an enhanced sampling of all-atom protein structures by coupling with the accelerated dynamics of the associated coarse-grained (CG) model. In this paper, we propose an MSES extension to replace the CG model with the dynamics on the reduced subspace gene...

Descripción completa

Detalles Bibliográficos
Autor principal: Moritsugu, Kei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8540671/
https://www.ncbi.nlm.nih.gov/pubmed/34685447
http://dx.doi.org/10.3390/life11101076

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8540671/
https://www.ncbi.nlm.nih.gov/pubmed/34685447
http://dx.doi.org/10.3390/life11101076

Ejemplares similares