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. Author manuscript; available in PMC: 2021 Aug 12.
Published in final edited form as: J Am Chem Soc. 2020 Jul 30;142(32):13917–13933. doi: 10.1021/jacs.0c06243

Figure 13.

Figure 13.

Free energy profile of minimum energy pathway through full catalytic cycle (green) as well as pathway for equilibration to off cycle resting state 3 (orange). Note that decarboxylation is considered irreversible as CO2 is lost to reaction headspace/atmosphere.