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IMPROVING THE PERFORMANCE OF THE AMBER RNA FORCE FIELD BY TUNING THE HYDROGEN-BONDING INTERACTIONS

Molecular dynamics (MD) simulations became a leading tool for investigation of structural dynamics of nucleic acids. Despite recent efforts to improve the empirical potentials (force fields, ffs), RNA ffs have persisting deficiencies, which hamper their utilization in quantitatively accurate simulat...

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Détails bibliographiques
Publié dans:J Chem Theory Comput
Auteurs principaux: Kührová, Petra, Mlýnský, Vojtěch, Zgarbová, Marie, Krepl, Miroslav, Bussi, Giovanni, Best, Robert B., Otyepka, Michal, Šponer, Jiří, Banáš, Pavel
Format: Artigo
Langue:Inglês
Publié: 2019
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC7491206/
https://ncbi.nlm.nih.gov/pubmed/30896943
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.8b00955
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