. 2021 Aug 30;9(5):e00847. doi: 10.1002/prp2.847

TABLE 1.

[L]_med and related parameters for Case A

Parameters	^minRc_‐IF (approximated)	k_3‐CS/k_2‐CS in nM	[L]_med in nM (calculated)	[L]_med in nM (simulated)^a
	0.0476	0.8	16.8	16.9
Fold‐ shift in Figures 5 and 6 by changing
k_3‐CS and k_4‐CS
×0.1	×7.0	×10	×1.43	×1.43
×10	×0.104	×0.1	×0.96	×0.96
k_3‐IF and k_4‐IF
×0.1	×0.104	×1.0	×9.57	×9.52
×10	×7.0	×1.0	×0.143	×0.148
k_1‐CS and k_2‐CS
×0.1	×1.0	×0.1	×0.1	×0.1
×10	×1.0	×10	×10	×10
k_1‐IF and k_2‐IF
×0.1	×1.0	×1.0	×1.0	×1.05
×10	×1.0	×1.0	×1.0	×1.0

The ascending portion of the sigmoidal Rc_‐IF versus Log[L] plot is half‐maximal at [L]_med. This median/midpoint is calculated via equation 25 in Supporting Information Section S8 (also presented in Figure 7D) based on the k_2‐CS/k_3‐CS ratio and the simplified expression of the baseline value of the relative contribution of IF (i.e., ^minRc_‐IF as k_4‐IF/(k_4‐IF + k_4‐CS)) for Case A and variations thereof such as shown in Figures 5 and 6. Those calculated [L]_med values are already in excellent agreement with those that are obtained by non‐linear regression analysis with GraphPad Prism^® (Graphpad Software Inc.) of the F_on‐ based Rc_‐IF versus Log[L] plots (in where F_on‐ values are based on the microscopic rate constants and simulated concentrations of the different target species at equilibrium, such as related).¹⁹

^{^a}

A perfect fit between both [L]_med‐ values is obtained when expressing ^minRc_‐IF by its unabridged equation in Figure 7B (not shown). Other parameters: Please see Figure 1.