In order to gain more information on how the ArMs control enantioselectivity, computational modelling was used to probe the stereochemical outcomes for the Cu-catalysed Friedel-Crafts reaction. The crystal structure coordinates were used for the computations. As these included Triton-X100, the ArM-catalysed Friedel-Crafts reactions were repeated in the presence of 2 eq. Triton-X100 to ascertain if this was likely to change the catalysis and thus if the crystal structures are a reasonable structural starting point. In the case of SCP_Q111BpyAla and SCP_Q111CBpy, the same enantioselectivities were observed as reactions without Triton-X100, with only a slight decrease in yield suggesting that the structures are a valid model to use to rationalise the differences in enantioselectivity. However, for SCP_A100BpyAla and SCP_V83BpyAla there was a significant decrease in activity, which could be caused by Triton-X100 blocking the availability of Cu-Bpy to the substrates as it binds within the protein tunnel (Table , entries 10-13) .