For the three families of cyclocurcumin derivatives the force field for both isomers has been parameterized using the GAFF strategy. The chosen model system is composed of a lipid bilayer involving 318 fully hydrated DPPC lipids described by the lipid14 force field and the corresponding molecule in each case. Periodic boundary conditions were applied consistently. The temperature and pressure were kept constant at 300 K and 1 atm employing Langevin thermostat and Langevin barostat algorithm, respectively. The hydrogen mass repartition (HMR) scheme was used; thus, the equations of motion were integrated with a time step of 4 fs.