Phosphorylation Modification Force Field FB18CMAP Improving Conformation Sampling of Phosphoproteins
Published in Journal of Chemical Information and Modeling, 2023
Recommended citation: Song, G., et al., Phosphorylation Modification Force Field FB18CMAP Improving Conformation Sampling of Phosphoproteins. Journal of Chemical Information and Modeling 2023, 63, 1602-1614. https://pubs.acs.org/doi/10.1021/acs.jcim.3c00112
Here, a new force field parameter (named FB18CMAP) is generated by fitting against quantum mechanics (QM) energy in aqueous solution with phi/psi dihedral potential-energy surfaces optimized using CMAP parameters.
Recommended citation: Song, G., et al., Phosphorylation Modification Force Field FB18CMAP Improving Conformation Sampling of Phosphoproteins. Journal of Chemical Information and Modeling 2023, 63, 1602-1614.