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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| 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 |