Table 12.
Water permeabilities (×10−3 cm/s) from 1 and 3-compartment models using values of , 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 |