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Chasing collective variables using temporal data-driven strategies
The convergence of free-energy calculations based on importance sampling depends heavily on the choice of collective variables (CVs), which in principle, should include the slow degrees of freedom of the biological processes to be investigated. Autoencoders (AEs), as emerging data-driven dimension r...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Cambridge University Press
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10411323/ https://www.ncbi.nlm.nih.gov/pubmed/37564298 http://dx.doi.org/10.1017/qrd.2022.23 |