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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Shranjeno v:
Bibliografske podrobnosti
izdano v:J Chem Theory Comput
Main Authors: Kührová, Petra, Mlýnský, Vojtěch, Zgarbová, Marie, Krepl, Miroslav, Bussi, Giovanni, Best, Robert B., Otyepka, Michal, Šponer, Jiří, Banáš, Pavel
Format: Artigo
Jezik:Inglês
Izdano: 2019
Teme:
Article
Online dostop: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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