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. 2018 May 29;115(24):6129–6134. doi: 10.1073/pnas.1805719115

Fig. 2.

Fig. 2.

Histogram of the Ru–Cu distance generated using KC-RPMD in the reactant basin and at the dividing surface for WT (red), N47D (purple), N47S (green), and N47L (blue). The dividing surface shows a clear compression of the Ru–Cu distance for WT and all mutants, with N47L showing the strongest degree of compression leading to an increased electronic coupling.