We first visualized the selected poses after MD to evaluate whether they drifted away from the initial docked poses. For the simulation initiated at each docked pose, we computed the RMSD at the end of the MD simulation with respect to the initial pose. After doing this for simulations begun from all poses, we selected the poses with the lowest final RMSD values. After this step, we compared the MM-GBSA scores of the selected poses and picked the pose with the most favorable MM-GBSA score as the top pose. Also, we submitted multiple binding pose predictions for the cases where the metrics (RMSD or MM-GBSA scores) were within 1 Å or 10 kcal/mol of each other for the docked poses. Even though the poses were selected after MD, the final submitted poses were the initial docked poses from HY-BRID and were not minimized prior to submission.