Fig. 4.

Time evolution of CV 1 (projecion of the ligand on the z axis) during the WT–FM simulations of the OAMe–G1 complex (left) and the OAMe–G4 complex (right) using the GAFF force field. The bound state is characterized by $z=0.5$–0.6 nm, whereas the unbound state has $z>1.3$ nm. The results for the other systems resemble the left figure; the OAMe–G4 complex is exceptional in that it shows fewer visits to the bound state