We remind the reader that we report an 'average' RMSD from each method (See Methods: Crystallographic Binding Mode Predictions). Since we cannot determine which docked pose or single simulation frame would result in minimizing the RMSD to the crystallographic binding mode without knowing the crystallographic binidng mode, an average RMSD represents the typical accuracy expected from randomly picking from a pool of docked poses or a single simulation frame representative of a metastable binding mode. We also report the minimum RMSD to show the best case or 'ideal' scenario for each method. The minimum RMSD reflects the accuracy which would be expected if one could determine somehow, without knowing the crystal structure, which docked pose or simulation frame would be closest to the true binding mode.