Figure (a) shows the correlation between the experimental binding free energies and the calculated relative binding free energies converted to binding free energies obtained from simulations of VIM-2 with the restraint approach. Here, the correlation statistics and the errors show that the model is not predictive. Some of the outliers arise from similar issues as with KPC-2, such as ring breaking/formation and halides, but upon visually inspecting the trajectories, we see that the zinc coordination is not conserved during the RBFE simulations.