Surface charge distribution: a key parameter for understanding protein behavior in chromatographic processes

Multi-component adsorption of proteins still requires a better understanding local phenomena to improve the development predictive models. In this work, all-atom Molecular Dynamics (MD) simulations were used investigate influence protein charge distribution on capacity. The simultaneous ?-chymotrypsin and lysozyme cation exchanger, SP Sepharose FF, was studied through MD compared macroscopic isotherm experiments. It appears that is relevant information understand specific phenomena, such as multilayer caused by particular electrostatic profile ?-chymotrypsin. Therefore, seem be an interesting way visualize highlight these behaviors.