Skip to main content
. Author manuscript; available in PMC: 2020 May 8.
Published in final edited form as: Chem Rev. 2019 Feb 12;119(9):5954–5997. doi: 10.1021/acs.chemrev.8b00486

Table 12.

Water permeabilities (×10−3 cm/s) from 1 and 3-compartment models using values of F(kBT), D (×10−5 cm2/s), and h (Å) obtained from simulations of a water/hexadecane slab and a POPC bilayer. P(sim) for water/hexadecane is from the Bayesian analysis, and P(sim) for the bilayer is from counting.

Model F1 F2 D1 D2 h1 h2 P sim expt
water/hexadecane 11.5 - 2.5 - 10.0 - 2.5 2.6 -
M1. POPC (h1 = dCC) 11.3 - 1.5 - 27.5 - 0.7 1.3 -
M2. POPC (reduce h1) 11.3 - 2.5 - 11.5 - 2.7 1.3 -
M3. POPC (add compartment) 11.3 8.3 2.5 0.4 11.5 16.0 1.4 1.3 -
M4. POPC (reduce F) 9.6 5.0 2.5 0.4 11.5 16.0 12.8 - 13.0