Figure 10: MolDarting attempts sample all the defined binding modes.

We looked at the binding modes sampled by MolDarting moves attempts. All 9 binding modes that were used for MolDarting with this ligand (4CGD) were sampled over the 200 iterations performed. The ligand started in binding mode 1. The points in blue indicate MolDarting move attempts which were successful at sampling new binding modes, while the red indicates that the ligand was outside the defined regions, so no darting move was attempted.