A combination of experiments and molecular dynamics simulation for the investigation of the ion-exchange adsorption of biological macromolecules
23rd European Symposium on Computer Aided Process Engineering / ed. by Andrzej Kraslawski ... - Amsterdam [u.a.] : Elsevier [u.a.], 2013. - (Computer aided chemical engineering ; 32). - Seite 25-30
Contribution to Conference
To get a comprehensive understanding of the adsorption of macromolecules onto ion-exchange adsorbent, the single component ion-exchange adsorptions of serum albumin and hemoglobin onto Q Sepharose FF were investigated with both adsorption equilibrium experiments and molecular dynamics (MD) simulations. Both of the investigations show that serum albumin adsorbs stronger than hemoglobin in the condition studied. The steric mass-action model was introduced to describe the adsorption equilibrium of both proteins, whose parameters were also studied with MD simulations. The results of MD simulations are qualitatively consistent with those of experiments. © 2013 Elsevier B.V.
660: Technische Chemie