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Q-Force: Quantum Mechanically Augmented Molecular Force Fields
[Image: see text] The quality of molecular dynamics simulations strongly depends on the accuracy of the underlying force fields (FFs) that determine all intra- and intermolecular interactions of the system. Commonly, transferable FF parameters are determined based on a representative set of small mo...
| 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/PMC8359013/ https://www.ncbi.nlm.nih.gov/pubmed/34251194 http://dx.doi.org/10.1021/acs.jctc.1c00195 |