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. Author manuscript; available in PMC: 2016 Feb 26.
Published in final edited form as: J Comput Chem. 2012 Mar 27;33(15):1383–1392. doi: 10.1002/jcc.22971

Figure 7. Thermodynamic properties of water molecules at grid points around the protein.

Figure 7

The enthalpies, protein-water entropies, water-water entropies and free energies of water molecules with respect to bulk within a 1.2 Å sphere at Cartesian grid points around the protein. The results for TIP4P-2005 and TIP5P-Ewald are displayed in magenta and cyan respectively. The grid has a 3.0 Å resolution and is centred on the centroid of the protein.