. Author manuscript; available in PMC: 2022 Nov 3.

Published in final edited form as: Phys Chem Chem Phys. 2011 Mar 9;13(15):6955–6969. doi: 10.1039/c0cp02487b

Table 2. Volumes and surfaces of the protein in the simulated systems calculated by means of Voronoi decomposition of the system and ellipsoid approximation of the protein.

x _H₂O	c_IL[mol/l]	V_Voronoi[Å³]	S_Voronoi [Å²]	a[Å]	b[Å]	c[Å]	V[Å³]	S[Å²]
1.0	0	4574	2928	18.4	11.5	9.1	8066	2071
0.927	2.36	4570	2942	17.5	12.35	9.0	8148	2073
0.854	3.38	4602	2953	17.3	11.75	9.3	7919	2019
0.751	4.09	4609	2918	18.35	11.75	9.0	8128	2085
0.675	4.41	4621	2934	17.35	11.3	8.9	7309	1928