The growing potential of peptide-based drugs, peptide-directed self-assembly and crystal growth, and peptide-functionalized nanomaterials amongst other things is motivating increased interest in understanding peptide adsorption at fluid/solid interfaces. In this contribution, I will outline the use of molecular modelling to provide unprecedented molecular-level insight into such adsorption. I will detail a novel protocol that provides a statistical basis for elucidating the role of various parts of a peptide in adsorption in addition to the qualitative insight typical of molecular modelling. The protocol will then be illustrated in the context of peptide adsorption at various water/solid interfaces [1-3]. The contribution will be concluded with a brief look at how this insight has been used in the design of a peptide for directing self-assembly.
<p> Y. Sun, M. Mijajlovic, M.J. Penna, W. Yang and M.J. Biggs, Adsorption of microperoxidase-11 at water/graphene interface, In preparation.</p>