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An Imbalance in the Force: The Need for Standardized Benchmarks for Molecular Simulation
[Image: see text] Force fields (FFs) for molecular simulation have been under development for more than half a century. As with any predictive model, rigorous testing and comparisons of models critically depends on the availability of standardized data sets and benchmarks. While such benchmarks are...
Autores principales: | Kříž, Kristian, Schmidt, Lisa, Andersson, Alfred T., Walz, Marie-Madeleine, van der Spoel, David |
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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/PMC9875315/ https://www.ncbi.nlm.nih.gov/pubmed/36630710 http://dx.doi.org/10.1021/acs.jcim.2c01127 |
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