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Coarse-Grained Modeling Using Neural Networks Trained on Structural Data
[Image: see text] We propose a method of bottom-up coarse-graining, in which interactions within a coarse-grained model are determined by an artificial neural network trained on structural data obtained from multiple atomistic simulations. The method uses ideas of the inverse Monte Carlo approach, r...
| 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/PMC10569054/ https://www.ncbi.nlm.nih.gov/pubmed/37712507 http://dx.doi.org/10.1021/acs.jctc.3c00516 |