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Likelihood-based non-Markovian models from molecular dynamics
We introduce a method to accurately and efficiently estimate the effective dynamics of collective variables in molecular simulations. Such reduced dynamics play an essential role in the study of a broad class of processes, ranging from chemical reactions in solution to conformational changes in biom...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
National Academy of Sciences
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9060509/ https://www.ncbi.nlm.nih.gov/pubmed/35320038 http://dx.doi.org/10.1073/pnas.2117586119 |