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ACS Omega|August 8, 2022
A Closed-Form, Analytical Approximation for Apparent Surface Charge and Electric Field of MoleculesDan E Folescu, Alexey V OnufrievThe Journal of Physical Chemistry. B|June 11, 2024
Inclusion of Water Multipoles into the Implicit Solvation Framework Leads to Accuracy GainsIgor S Tolokh, Dan E Folescu, Alexey V OnufrievJournal of Chemical Theory and Computation|December 27, 2023
Improving the Accuracy of Physics-Based Hydration-Free Energy Predictions by Machine Learning the Remaining Error Relative to the ExperimentLewis Bass, Luke H Elder, Dan E Folescu, et al.Pageof 1