Simple Adjustment of Intranucleotide Base-Phosphate Interaction in the OL3 AMBER Force Field Improves RNA Simulations

[Image: see text] Molecular dynamics (MD) simulations represent an established tool to study RNA molecules. The outcome of MD studies depends, however, on the quality of the force field (ff). Here we suggest a correction for the widely used AMBER OL3 ff by adding a simple adjustment of the nonbonded...

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Detalles Bibliográficos
Autores principales: Mlýnský, Vojtěch, Kührová, Petra, Stadlbauer, Petr, Krepl, Miroslav, Otyepka, Michal, Banáš, Pavel, Šponer, Jiří
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10687871/
https://www.ncbi.nlm.nih.gov/pubmed/37944118
http://dx.doi.org/10.1021/acs.jctc.3c00990

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10687871/
https://www.ncbi.nlm.nih.gov/pubmed/37944118
http://dx.doi.org/10.1021/acs.jctc.3c00990

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