Figure 2.

Schematic illustration of the computation of the solvent accessible volume fraction for atom k in solvation group i, ${\eta }_k^i$. The light gray circle depicts atom k, and the dark gray circle around it its mean-field solvation shell. The medium gray circles indicate other atoms either too far away to affect the solvation of atom k (left side), or occupying part of its solvation shell, and hence reducing ${\eta }_k^i$ according to Equation 3 (right side).