We assessed the ability of MolDarting to sample the sidechain torsion of the valine-alanine dipeptide in implicit solvent. We also the compare the sampling efficiency of Moldarting to that of uniform sampling of the torsion. We applied the MolDarting procedure described in Section 3.1.1 to validate this MC move correctly samples the correct population distributions, and to compare the sampling efficiency of MolDarting to a traditional MC method. Both methods converged to the same values for the three dihedral populations (Figure ). Across seven simulation replicates using MolDarting, the acceptance rate of MolDarting moves was only 2.23% ± 0.6%, compared to the acceptance rate of uniform sampling at 8.04% ± 0.5%. Although the acceptance rate for molecular darting was lower, the number of transitions generated between dihedral populations was nearly doubled compared to uniform dihedral sampling, with an average of approximately 3400 transitions generated with MolDarting compared to approximately 1400 transitions on average with uniform dihedral sampling. Thus, because of the targeted nature of MolDarting, the number of transitions between conformations is higher than the uniform sampling case, despite the lower number of accepted moves. 4.2 We applied Molecular Darting to sample the binding modes of toluene in T4 lyosozyme L99A