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OneOPES, a Combined Enhanced Sampling Method to Rule Them All
[Image: see text] Enhanced sampling techniques have revolutionized molecular dynamics (MD) simulations, enabling the study of rare events and the calculation of free energy differences in complex systems. One of the main families of enhanced sampling techniques uses physical degrees of freedom calle...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10500989/ https://www.ncbi.nlm.nih.gov/pubmed/37603295 http://dx.doi.org/10.1021/acs.jctc.3c00254 |