Articles with "ff99ol3 cmap1" as a keyword



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RNA-Specific Force Field Optimization with CMAP and Reweighting

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Published in 2022 at "Journal of chemical information and modeling"

DOI: 10.1021/acs.jcim.1c01148

Abstract: RNA plays a key role in a variety of cell activities. However, it is difficult to capture its structure dynamics by the traditional experimental methods because of the inherent limitations. Molecular dynamics simulation has become… read more here.

Keywords: ff99ol3 cmap1; rna specific; specific force; force ... See more keywords