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. 2013 Sep 26;53(10):2571–2586. doi: 10.1021/ci4003409

Figure 7.

Figure 7

Representative ligands from resorcinol (A, B) and benzamide (C, D) series overlaid on the crystallographic water molecules labeled with IFST-based solvation free energies in kcal/mol and colored from yellow to red representing low to high solvation free energy.