However, by utilizing the SuMD approach, we were able to generate the correct binding pose independent from the binding site conformation except for the ligand Lig-01 (7JIV) in the apoopened simulation. These latter results may be due to the ligand's low affinity with the open conformation of the binding site, probably indicating the need for longer simulation times. By contrast, when MM-PBSA (ΔE) was applied on the clusters from the SuMD, it showed low accuracy in predicting the correct binding pose with 50% correct predictions.