Figure 4.
Average water occupancy ⟨Nw⟩ in the R8 pocket from MD simulations (squares) and the level-set VISM approach (circles) estimated by the ensemble average [Eq. 8].
Average water occupancy ⟨Nw⟩ in the R8 pocket from MD simulations (squares) and the level-set VISM approach (circles) estimated by the ensemble average [Eq. 8].