To track adsorption and desorption for sorgoleone from the membrane, we use a collective variable based on coordination number to assess progress. In this instance, zero contacts would represent a desorbed state, where the compound of interest makes no or minimal contact with the membrane. Conversely, the fully membrane embedded state would have a high number of contacts. The free energy profile along this reaction coordinate (Fig. ) has a maximum when the compounds are desorbed, which rapidly decreases once the molecules interact with the membrane. This behavior is qualitatively similar to what was observed in equilibrium simulation, that there is a strong driving force for these molecules to remain membrane embedded.