Fig. 6. Example of a prediction that was fixed by the post-docking energy minimisation. The Uni-Mol prediction (RMSD 2.0 Å) is shown in white, the optimised prediction (RMSD 1.1 Å) is shown in pink, and the crystal ligand is shown for reference in light blue. Note how the aromatic rings are flattened and the leftmost bond is shortened by the optimisation making the prediction pass all PoseBusters checks.
