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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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Detaylı Bibliyografya
Yayımlandı:J Chem Theory Comput
Asıl Yazarlar: Kührová, Petra, Mlýnský, Vojtěch, Zgarbová, Marie, Krepl, Miroslav, Bussi, Giovanni, Best, Robert B., Otyepka, Michal, Šponer, Jiří, Banáš, Pavel
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: 2019
Konular:
Online Erişim: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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