Upon binding, the binding pocket contracts due to Loops C and B moving toward the agonist; the pocket volume is reduced by squeezing out water molecules. Previous experimental work on AChRs pointed out that each binding site can undergo low-affinity (LA) ↔ high-affinity (HA) switching, indicative of dynamical behaviour and linked to Loop C capping. In our models, the occupied pockets have a smaller volume (e.g. for the three-ligand model within the range of 60-100 Å3 , as measured with MDpocket), in contrast to the empty pockets (100-150 Å3 ). However, there is a variation in the volume of bound (and also empty) pockets for different binding sites within the same and the other models, as also reflected by other correlated quantities, like the presence of water molecules and the orientation of Loop C, which will be discussed in detail in the following.