AutoDock-GPU v1.5.3 was run with standard options, other than the calculation of input structure energies (--rlige 1). Briefly, for each complex 20 independent genetic algorithm runs were performed, with the resulting conformations clustered using a soft RMSD tolerance of 2 Å. The number of evaluations were estimated for each complex, using a built in heuristic based on the number of rotatable bonds, and capped with an asymptotic limit at 12M evaluations.