The Shell group uses molecular simulations and statistical mechanics to investigate coupled folding, self-assembly, and self-organization processes in peptides and small proteins. Recent projects in this area are aimed at understanding the thermodynamic balance underlying peptide sequences with high-fidelity self-assembly, the physiochemical interactions governing nanotube-forming synthetic peptides, and the design of peptide-polymer conjugates that functionalize therapeutic soft nanoparticles.

The Mills group leverages protein engineering and synthetic biology tools to investigate the molecular driving forces that underpin various types of protein-driven spatial organization in nature. Projects in this area include high-throughput screening of protein assemblies to generate protein assembly fitness landscapes, and the development of cell-free systems for the investigation of the liquid-liquid phase separation (LLPS) of proteins.