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. 2022 Jan 3;8:804970. doi: 10.3389/fmolb.2021.804970

FIGURE 9.

FIGURE 9

Computed reaction paths mediated by bicarbonate buffer. Energy profile of the calculated model reaction of inhibitor 5c with methanethiol in presence of bicarbonate buffer species (and distribution of species at pH 7.5). Selected structures are shown in ball and stick representation with the reaction coordinate R (Sthiol–C-2inhibitor) given in red.