Improving the Performance of the Amber RNA Force Field by Tuning the Hydrogen-Bonding Interactions.
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DOI: 10.1021/acs.jctc.8b00955
Abstract: 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… read more here.
Keywords: improving performance; rna ffs; performance; amber rna ... See more keywords