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. Author manuscript; available in PMC: 2017 Nov 28.
Published in final edited form as: J Phys Chem B. 2015 Dec 17;120(8):1894–1910. doi: 10.1021/acs.jpcb.5b09656

Figure 1.

Figure 1

The three systems studied here: (a) copper reduction in water; (b) oxidation of [Cu(I)(NH3)4]+ in water; (c) copper reduction in a blue copper protein, plastocyanin. In (a–c), the minimal QM region is highlighted with a different representation compared to the solvent or the rest of the protein. In (c), 310 helices are colored violet, extended β sheet regions are colored orange, bridge β sheet regions are colored lime green, turns are colored ice-blue, and coils are colored pink. The figures are generated using VMD.39