Figure 2.

Water occupancies are shown as colored mesh from the MixMD simulations (colored by the probe type from each simulation). At high occupancy levels, few water sites are identified. These are sites which are repeatedly occupied by water molecules even in the presence of probe molecules. Water sites that first appear at lower sigma values are less frequently occupied by water when probe molecules are present. Note that these isocontours are for waters, not probes in the simulations.