The most critical analysis for this article focuses on the conformational strain energies in all our results, as the primary objective of the QFVina method is to avoid solutions involving physically non-existent conformations with unreasonably high strain energies. The strain energies for all QFVina docking results can be easily obtained by subtracting the Vina energy from the DFT+Vina energy in the final SDF files, as both quantities are included as standard SD tags by our software. Since we perform docking with rigid ligands, the DFT energies remain valid, and the conformational geometries stay in their QM local minima. The figure below displays the conformational strain energies for both Vina and Vinardo scoring functions across all three targets, while the table below presents key basic statistics of the conformational strain energies. As observed, many docking solutions in the top 100 lists correspond to the lowest DFT strain energy conformations, and when this is not the case, they are based on conformations with very small strain energies. This outcome is expected, as the thermal energy kBT at room temperature is about 0.6 kcal/mol. Although very favorable intermolecular interactions between the protein and ligand can sometimes overcome much larger conformational strain energies, similar to intermolecular interactions in organic crystals, it becomes increasingly difficult for conformations with higher strains not only from thermochemistry but also from reaction kinetics point of view as well. These results clearly show that the docking program identified very reasonable poses with strong intermolecular interactions with the protein while maintaining low ligand strain energies, with all means and medians of the DFT strain energies below 0.5 kcal/mol and very small deviations.