Journal Article Research Support, U.S. Gov't, Non-P.H.S. Research Support, Non-U.S. Gov't Research Support, N.I.H., Extramural Proteins curvature Solvents electrostatics implicit solvent model persistent homology 059QF0KO0R Eulerian representation Fullerenes News Nucleic Acids Poisson-Boltzmann Salts Validation Study Water accurate coarse grid Poisson-Boltzmann solver analytic surface anisotropic filtration aqueous solubility atomic flexibility boundary integral method conjugated Eulerian and Lagrangian molecular surfaces deep neural networks electrostatic binding free energy energy functional filtration