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COGITO: A Coarse-Grained Force Field for the Simulation of Macroscopic Properties of Triacylglycerides
[Image: see text] The use of molecular dynamics simulations is becoming ever more widespread; however, the application of this to pure triacylglyceride (TAG) systems is not. In this study, we are presenting the development, and validation, of a new force field (FF), which we have called the COarse-G...
| 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/PMC9979597/ https://www.ncbi.nlm.nih.gov/pubmed/36728833 http://dx.doi.org/10.1021/acs.jctc.2c00975 |