Fig. 2.

Depth-dependent O₂ lipid–water partition coefficient curves, ${\mathrm{K}}_{\mathrm{P}}\left(z\right)$, showing improved partitioning for the updated O₂–L14LJ model (black line), relative to the original O₂–GLJ model (gray line). Circles represent ${\mathrm{K}}_{\mathrm{P}}\left(z\right)$ calculated from experimental NMR data [27], for O₂ in MLMPC at 318 K. Simulations used POPC at 310 K, with Langevin temperature control (collision frequency 1.0 ps⁻¹) and the Monte Carlo barostat.