Fig. 11. Representative snapshots from the simulation trajectory depicting the interaction of Emim cations at the active site of RmCel12A in (a) 20% EmimAc, (b) 40% EmimAc, and (c) 60% EmimAc. The Emim cations and the active site catalytic residues are shown in solid van der Waals' spheres (red) and licorice (orange) representation, respectively. Notably, with increasing concentration of EmimAc, more number of Emim cations with higher fractional occupancy are trapped at the active site of RmCel12A.