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Discovering Collective Variables of Molecular Transitions via Genetic Algorithms and Neural Networks
[Image: see text] With the continual improvement of computing hardware and algorithms, simulations have become a powerful tool for understanding all sorts of (bio)molecular processes. To handle the large simulation data sets and to accelerate slow, activated transitions, a condensed set of descripto...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8047796/ https://www.ncbi.nlm.nih.gov/pubmed/33662202 http://dx.doi.org/10.1021/acs.jctc.0c00981 |