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Reactive Martini: Chemical Reactions in Coarse-Grained Molecular Dynamics Simulations
[Image: see text] Chemical reactions are ubiquitous in both materials and the biophysical sciences. While coarse-grained (CG) molecular dynamics simulations are often needed to study the spatiotemporal scales present in these fields, chemical reactivity has not been explored thoroughly in CG models....
| 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/PMC10339680/ https://www.ncbi.nlm.nih.gov/pubmed/37327401 http://dx.doi.org/10.1021/acs.jctc.2c01186 |