Adsorption of biomolecules on graphene : experimentation supercomputing (roundtrip)

The study of the interaction of proteins with surfaces is a topic of great interest both from a basic point of view as a technology (implants, biosensors, tissue engineering, etc.) in the past decades has been widely studied protein-surface interaction and the mechanisms governing the adsorption and diffusion of proteins on surfaces. However, due to limitations to study atomic scale of the processes that govern adsorption and diffusion of proteins on surfaces, there are still many points that must be understood in order to move towards new technological developments. This seminar results on protein adsorption and diffusion of great interest, albumin and antibodies are shown, graphene surfaces using molecular dynamics simulations (MD). This methodology allows us to: (i) determine the most important interactions that direct adsorption process and estimate the adsorption energies for various configurations, (ii) determine whether the adsorption process induces protein denaturation, (iii) determine the orientations favorable adsorption, and (iv) to ascertain whether proteins retain their bioactivity after adsorption.