All-atomistic Transferable Neural Potentials for Protein Solvation

ArXi:2605.14584v1 Announce Type: cross Implicit solvent models are widely used to decrease the number of solvent degrees of freedom and enable the calculation of solvation energetics without water molecules. However, its accuracy often falls short compared to explicit models. Recent advancements in neural potentials have shown promise in drug discovery, but transferability remains a persistent challenge. Here, we