Self-Consistent Parameterization of DNA Residues for the Non-Polarizable AMBER Force Fields

Self-Consistent Parameterization of DNA Residues for the Non-Polarizable AMBER Force Fields

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 expanding the residue set in step with...

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Bibliographic Details
Main Authors: Amelia L. Schneider, Amanda V. Albrecht, Kenneth Huang, Markus W. Germann, Gregory M. K. Poon
Format: Article
Language:English
Published: MDPI AG 2022-04-01
Series:Life
Subjects:
nucleic acids
DNA
charge
electrostatic potential
ab initio methods
NMR spectroscopy
Online Access:https://www.mdpi.com/2075-1729/12/5/666

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