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. Author manuscript; available in PMC: 2021 Sep 21.
Published in final edited form as: J Chem Theory Comput. 2021 Feb 4;17(3):1726–1741. doi: 10.1021/acs.jctc.0c00968

Table 2.

Equilibrium Dissociation Constant and Maximal Conductancea

Kd (M) Kd(K+) (M) Kd(Na+) (M) gmax(K+) (pS) gmax(Na+) (pS)
C27 0.04±0.01 0.04±0.01 0.0025–0.0031 0.0004–0.0006
AMOEBA 0.34±0.01 0.17±0.01 36.847 14.747
Drude 0.3±0.1 0.13±10.10 2–22 0.1–0.6
Exp. 0.017–0.7324,36,110 0.01±1.0109 21–23.834,39 3–12.438,39
a

The binding constant is calculated by assuming that z ∈ [−-20:20].