For each conformation of each molecule, the QFVina method retained the five best-scored docking solutions, while the traditional Vina method retained up to the 50 best-scored docking solutions. After completing all docking calculations, our analysis program collected the results, sorted them by score, and retained the top 100 solutions for each method, target, and scoring function combination. This top 100 hitlist represents the lowest binding energies of all conformations and poses, with the same molecule potentially appearing multiple times. To address this, I also created a condensed hitlist, where each molecule is represented only once by its strongest binding entry from the top 100 hitlist.