For a majority of the ligands, we were able to distinguish between good and bad docking poses based on their stability in the binding pocket during the MD simulations and had submitted multiple poses for only 8 ligands in Stage 1a. The 'top' pose and the 'best' pose were close to each other as seen from the mean and median RMSD (Table ), usually within 0.5 Å RMSD, demonstrating that our protocol was able to separate the good from the bad poses in most cases. The superposition of the 'best' pose for each ligand in Stage 1a on to the respective crystal structure provided by the GC4 organizers is reported in Fig. .