We introduce an Ion-Dipole Correction (IDC) to the 3DRISM solvation model that correctly predicts water distributions around negatively charged solutes, which is especially useful for nucleic acids. This work is part of a JPCB special issue on “Biomolecular Electrostatic Phenomena”.
https://pubs.acs.org/doi/10.1021/acs.jpcb.2c04431#.Y2SPAvotX11.twitter