The time evolution of the RMSD for the (E)-1 and (Z)-1 ligands was also determined to evaluate the stability of the lowest energy binding pose identified from docking (Figures and). The ligand's RMSD is a commonly used feature for comparing different ligand conformations. Although simple, this metric is an very informative way to measure the quality of a known binding pose by comparing the conformations adopted in the MD simulations with a reference binding mode (in this case, the lowest energy binding mode determined by AutoDock Vina). As can be seen in Figure , the comparison of the (E)-1 and