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Automatic Learning of Hydrogen-Bond Fixes in the AMBER RNA Force Field
[Image: see text] The capability of current force fields to reproduce RNA structural dynamics is limited. Several methods have been developed to take advantage of experimental data in order to enforce agreement with experiments. Here, we extend an existing framework which allows arbitrarily chosen f...
Autores principales: | Fröhlking, Thorben, Mlýnský, Vojtěch, Janeček, Michal, Kührová, Petra, Krepl, Miroslav, Banáš, Pavel, Šponer, Jiří, Bussi, Giovanni |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9281393/ https://www.ncbi.nlm.nih.gov/pubmed/35699952 http://dx.doi.org/10.1021/acs.jctc.2c00200 |
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