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. 2023 Jun 27;127(27):6078–6090. doi: 10.1021/acs.jpcb.3c02976

Table 1. Peak Position of the Outer Gaussian and Relative Weights of the Inner and Outer Gaussian Functions Used to Fit the Density Profiles of the Anesthetic and Non-Anesthetic Molecules in the DPPC Membrane and Solvation Free Energy Difference between the Two Preferred Positionsa.

system |X2|/Å w1 (%) w2 (%) ΔG/kJ mol–1
DPPC + DE 10.7 43.4 56.6 –0.7
DPPC + PE 12.0 84.1 15.9 4.6
DPPC + CF 11.6 22.9 77.1 –3.3
DPPC + CT 11.0 70.8 29.2 2.4
a

The position of the inner Gaussian is always X1 = 0 Å.