Temporally Coherent Backmapping of Molecular Trajectories From Coarse-Grained to Atomistic Resolution

[Image: see text] Coarse-graining offers a means to extend the achievable time and length scales of molecular dynamics simulations beyond what is practically possible in the atomistic regime. Sampling molecular configurations of interest can be done efficiently using coarse-grained simulations, from...

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Detalles Bibliográficos
Autores principales: Shmilovich, Kirill, Stieffenhofer, Marc, Charron, Nicholas E., Hoffmann, Moritz
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9743211/
https://www.ncbi.nlm.nih.gov/pubmed/36417670
http://dx.doi.org/10.1021/acs.jpca.2c07716

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9743211/
https://www.ncbi.nlm.nih.gov/pubmed/36417670
http://dx.doi.org/10.1021/acs.jpca.2c07716

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