The technological potential of proteins that recognize specific fluid/solid interfaces is immense � just a few examples are the use of designed peptides for the fractionation of carbon nanotubes, and the assembly of nanoscale building blocks to form complex nanostructured materials, biomaterials, electronic circuits and biosensors as illustrated below. Despite this potential, elucidation of the structure and behaviour of proteins at such interfaces and the design of associated systems is still dominated by experiment and trial-and-error. We are developing and applying computational tools that will complement this experimental effort. In this presentation, I will outline some of these tools and results obtained using them, including: (a) new unique insight into the mechanism of peptide binding at a liquid/solid interfaces; and (b) prediction of free energy of binding of peptides at fluid/solid interfaces, which is critical to the rational de novo design of peptides, surfaces and solvents for nanotechnology applications and beyond.

Towards the rational de novo design of solid-binding peptides for self-assembling nanotechnologies

243rd National Meeting (2012)

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