Structural analysis of adsorption processes of 5FU and imiquimodon hydrogels using AMBER/PM3 hybrid model

AMBER/PM3 hybrid model allowed determining the structural properties of 5FU and imiquimod individually and after the adsorption of chitosan hydrogels crosslinked with genipin, respectively. It was observed that the Gibbs free energy (ΔG) decreases with the adsorption, but indicates thermodynamic sta...