Table 2:

Bilayer structural parameters. D_hh is the peak–to–peak distance from the electron density of the lipid bilayer, and is a measure of bilayer thickness. Bilayer thickness D_B and chain thickness 2D_C are computed from number densities of the solvent and the lipid chains, respectively. V_H, and V_C are the volumes of the headgroup and lipid chains computed using the method from Petrache et al.⁵⁷ V_L is the sum of V_H and V_C. Rows 7–11 contain kinetic parameters for ion binding to membrane. These parameters come from fitting the equation $N_b(t)=\frac{K_a}{K_a+K_d}N\left(1-\text{exp}\left[-\left(K_a+K_d\right)\left(t-t_0\right)\right]\right)$ to the data for the number of ions bound to the lipid bilayer across the simulation time. A is the asymptotic number of ions bound to the lipid bilayer, and can be used as the expected number of ions that will bind to the system at equilibrium. τ is the characteristic timescale of the fitted function. n₀ is the number of ions bound at the beginning of the production run of the simulation. K_D and K_A are the computed binding association and dissociation constants, and K_A/K_D is the binding rate constant.

	Without salt	LB	Optimized
DHH (Å)	37.44 ± 1.07	40.18 ± 1.04	37.64 ± 0.88
DB (Å)	36.54 ± 0.47	40.90 ± 0.31	39.36 ± 0.43
2DC (Å)	27.07 ± 0.34	30.33 ± 0.29	28.97 ± 0.34
VH (Å3)	310.68 ± 1.14	316.13 ± 0.83	314.81 ± 0.75
VC (Å3)	904.89 ± 1.28	891.79 ± 1.65	896.50 ± 1.19
vL (Å3)	1215.57 ± 1.00	1207.92 ± 1.57	1211.32 ± 1.21
KA (ns−1)	N/A	7.12 × 10−3 ± 8.18 × 10−5	2.65 × 10−3 ± 1.74 × 10−5
KD (ns−1)	N/A	3.20 × 10−3 ± 4.75 × 10−5	3.58 × 10−3 ± 2.83 × 10−5
A	N/A	74.51	91.88
τ (ns)	N/A	96.73	160.54
K A /K D	N/A	2.225	0.74