Following the clustering, DockRMSD was used to calculate the RMSD values between all docking poses and the native ligand conformation. A success was defined as finding a given pose with an RMSD value lower than a certain threshold. Three different threshold values were used: (i) 1.0 Å (Best-1.0); (ii) 1.5 Å (Best-1.5); (iii) and 2.0 Å (Best-2.0) We also assessed if at least one pose (iv) of the first cluster (Cluster1); (v) of the first five clusters (Cluster1-5); and finally (vi) among all poses (All) had an RMSD below 2.0 Å with respect to the native pose.