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. Author manuscript; available in PMC: 2022 May 20.
Published in final edited form as: J Phys Chem A. 2021 Mar 30;125(19):4216–4232. doi: 10.1021/acs.jpca.1c00736

Figure 11:

Figure 11:

Comparison of minimum free energy paths from 3D, 4D and 6D representations of the associative transphosphoylation reaction catalyzed by the HHr. Left panel shows the RBF MBAR free energy with respect to progress along the path. Right panel shows the MBAR results with respect to the phosphoryl transfer coordinate ξPT.