Automatic Learning of Hydrogen-Bond Fixes in the AMBER RNA Force Field
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.2c00200
Abstract: The capability of current force fields to reproduce RNA structural dynamics is limited. Several methods have been developed to take advantage of experimental data in order to enforce agreement with experiments. Here, we extend an… read more here.
Keywords: amber rna; hydrogen; force; rna force ... See more keywords
Improving the Performance of the Amber RNA Force Field by Tuning the Hydrogen-Bonding Interactions.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical theory and computation"
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