For the cross-docking challenge in Stage 1a, we identified co-crystal structures in the RCSB database containing similar ligands to the 20 target ligands provided for the blind pose prediction challenge and used these structures for docking using HYBRID. The top pose(s) was determined using a combination of visual inspection, end-point free energy estimates (MM-GBSA scores) and stability of the ligands in the binding pocket. For the self-docking challenge in Stage 1b, we directly used the receptor structures provided to perform docking and kept the rest of the protocol the same as in stage 1a. We also used MM-GBSA scores for ligand affinity ranking and relative binding free energy predictions in both Stage 1a and Stage 2.