Another immediate application of this method is to the prediction of ligand bound poses. By assembling the ligand in the binding pocket of a protein of interest, the assembled conformation constitutes a prediction of the ligand binding pose. This could offer advantages compared with approaches like docking, as it can explicitly simulate ligand-induced fit and collective relaxation of water molecules in a binding site during the screening process. Again, it is likely that slower introduction of the restraints would be necessary in order to allow the binding pocket and water molecules to adapt to the presence of the ligand. Here we find that successful assembly can be achieved in as little as 60 ps. To observe meaningful conformational adaptation in a protein binding pocket we would likely need to slow this down considerably.