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...

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Detalles Bibliográficos
Autores principales: Fröhlking, Thorben, Mlýnský, Vojtěch, Janeček, Michal, Kührová, Petra, Krepl, Miroslav, Banáš, Pavel, Šponer, Jiří, Bussi, Giovanni
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
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

Internet

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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