To sample sorgoleone desorption from membrane and absorption into an organic sorgoleone droplet, we used a slighlty different simulation system modeled on prior work around fatty acid and terpene extraction (Figure ). We built a block of organic phase using the GROMACS insert-molecules module, and briefly equilibrated it to achieve a well-packed organic phase positioned above the membrane. Bilayer was retained along the water within 8 Å of bilayer from the previous SMD system. Block of organic phase was placed on top and bottom of the retained system. To simulate desorption from membrane and absorption into an organic phase, we took the difference between the molecule contacts with the membrane and organic phase components, using the same formulation as Eq. 2.