Figure 6.

Combined NCI and ELF surfaces for the ϵ subunit of Pol III. ELF surfaces are shown in transparent purple, and NCI surfaces shown as solid red/green/blue surfaces. Panels a–c show the reactant, transition state and product structures for Mg²⁺, while panels d–f show the same for Mn²⁺. Reproduced from Fang, D., Chaudret, R., Piquemal, J.-P., and Cisneros, G. A. (2013) Toward a Deeper Understanding of Enzyme Reactions Using the Coupled ELF/NCI Analysis: Application to DNA Repair Enzymes. J. Chem. Theo. Comp.9, 2156–2160. Copyright 2013 American Chemical Society.⁵⁴