After establishing that the Boresch-restrained metadynamics simulations are able to predict the preferred topology of coiled coils, we investigated whether our protocol can predict the preferred oligomerisation state of the CC-Di, CC-Tri and CC-Tet coiled coils. Each peptide was modelled as a dimer, trimer and tetramer, and binding free energy calculations were run for each complex (note that the binding free energies for the dimeric CC-Di and trimeric CC-Tri are those computed above).