In this work, we have studied only multiple binding modes resulting because from ring flips. However, the torsional moves we designed here can be used for other categories of alternate conformations, for example enhanced sampling of branched components in linear regions of ligands or rotations of terminal rotatable bonds (both are relevant experimentally 1 ). The NCMC torsional moves can also be combined with other moves like random ligand rotations 8 or translations to have broader applicability.