Combining QM/MM Calculations with Classical Mining Minima to Predict Protein-Ligand Binding Free Energy. - Farzad Molani; Simon Webb; Art E. Cho (J. Chem. Inf. Model., 2023)

Correction to "Combining QM/MM Calculations with Classical Mining Minima to Predict Protein-Ligand Binding Free Energy". - Farzad Molani; Simon Webb; Art E. Cho (J. Chem. Inf. Model., 2024)

SI Data for "Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics based Mining Minima Algorithm". - Megan Schlinsog; Tosaporn Sattasathuchana; Peng Xu; Emilie Guidez; Michael K. Gilson; Potter Michael; Mark S. Gordon; Simon Webb (Zenodo, 2025)