Figure 2.

Molecular and energetic details of all macrosites identified with cation binding affinity less than 8 M in simulations of the ligand-free active MOP receptor with a charged D^2.50 residue. (a)–(c) and (d)–(f )show predicted binding sites for Mg²⁺ and Na⁺ ions, respectively. See the caption of Fig. 1 for details. To see this figure in color, go online.