The two tables below present the binding energy intervals for all our docking results. One observation is that the Vinardo scoring function generally estimates slightly weaker proteinligand binding energies, often by a few kcal/mol. This trend is consistent for QFVinardo compared to QFVina, suggesting that the difference arises from variations in the intermolecular and desolvation energy scoring functions, since the intramolecular energy contributions come from DFT, which we will analyze in detail below.