To account for this property, we analyzed the best pose RMSD with respect to the ligand EDIAm value, classifying them into low, medium, high, and unknown quality, the latter accounting for cases where the EDIAm calculation failed. The analysis (Supporting Information, Figure ) demonstrates that lower quality structures coincide with worse docking results, suggesting that the confidence in the structure specifically in the ligand binding site should be assessed before performing docking benchmark studies. Otherwise, perceived docking failures may be due to inaccuracy in the experimental reference model. .