The figure below displays the condensed top 100 hit list of QFVinardo and QFVina methods for the 6LU7 target. All CSV files containing the hit lists for all three targets are provided in the supplementary material. It is interesting to note that despite using the same QM conformations and performing identical docking runs, simply changing the scoring function for intermolecular interactions between the protein and the ligand results in only 23 out of approximately 60 molecules being the same in the condensed top 100 lists for QFVinardo and QFVina. It is also important to recognize that the estimated binding energy range for the entire condensed top 100 hit list is less than 1 kcal/mol for QFVinardo and just over 1 kcal/mol for QFVina. Given that the accuracy of empirical scoring functions for intermolecular interactions and desolvation energies is likely much worse than 1 kcal/mol, I recommend considering the entire list from both docking hit lists for further lead optimization steps.