Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles
We report a reparameterization of the glycosidic torsion χ of the Cornell et al. AMBER force field for RNA, χOL. The parameters remove destabilization of the anti region found in the ff99 force field and thus prevent formation of spurious ladder-like structural distortions in RNA simulations. They a...
| Main Authors: | , , , , , , |
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| Format: | Online |
| Language: | English |
| Published: |
American Chemical Society
2011
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3171997/ |