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Published in 2022 at "Life"
DOI: 10.3390/life12050666
Abstract: Fixed-charge (non-polarizable) forcefields are accurate and computationally efficient tools for modeling the molecular dynamics of nucleic acid polymers, particularly DNA, well into the µs timescale. The continued utility of these forcefields depends in part on…
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Keywords:
consistent parameterization;
nucleic acid;
parameterization dna;
self consistent ... See more keywords