In the last step, docking and ring closure, a distance-dependent penalty potential of 50 kcal/mol/Å is defined between each CGn/Gn pairs to favoring the restoration of the broken bond, then standard docking simulations are performed on the acyclic structures. While the potential between CG atoms and G pseudoatoms is isotropic (because it depends only on their distance), the bond restoration will be driven by their complementarity, hence resulting in anisotropic bond constraint which encodes and restores the original correct geometry and chirality (unlike the original implementation) . This is the same potential used in our previous work.