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Stochastic Resetting for Enhanced Sampling
[Image: see text] We present a method for enhanced sampling of molecular dynamics simulations using stochastic resetting. Various phenomena, ranging from crystal nucleation to protein folding, occur on time scales that are unreachable in standard simulations. They are often characterized by broad tr...
| 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/PMC9743203/ https://www.ncbi.nlm.nih.gov/pubmed/36446130 http://dx.doi.org/10.1021/acs.jpclett.2c03055 |