During our post-analysis after the release of the experimental data, we decided to test the power of MM-GBSA in discriminating between potential binding poses for the same ligand. We evaluated the MM-GBSA scores of the released crystal pose and compared them against the score for the 'best' pose predicted by us in Stage 1b. Table shows the calculated MM-GBSA scores for the two poses and also the RMSD of our predicted pose with the crystal pose as a reference.