When we consider the overall average RMSD from each method, we can see that docked poses will be quite far from the crystal structure on average. On the other hand-given that we can at least sample the crystallographic binding mode using MD or BLUES-when a modeller tries to select a specific sample or simulation frame (from the most populated cluster) to compare against the crystal structure, they will on average select a sample which is at least within 4Å to the crystallographic binding mode.