We did not use AD due to the cumbersomeness of generating input structures for covalent docking. However we compared the AC results with the ones obtained with GOLD (Figure ). The relatively low re-docking success rate obtained with GOLD (45%) confirms that the SARS-MP-76 set is challenging. The drop in success rate by 28% from re-docking to crossdocking is similar than what is seen with AC (Table ). Also for cross-docking, analysis of the RMSD value of the best pose versus ligand properties (Figure ) demonstrates that the presence of crystal contacts and the buriedness of the ligand have a high impact on the quality of the docking predictions.