Atomistic modelling of adhesion

We are performing atomic-scale simulations to investigate the adhesion of peptides at glass/liquid interfaces. Using our newly developed quantum/classical modelling method we will be able to tackle chemical phenomena such as proton transfer or covalent bond formation at the hybrid interfaces, which has not been attempted so far in the case of extended and realistic heterogeneous model systems. Our simulations will accompany peptide adhesion experiments specifically designed to allow a comparison with the atomistic model systems.