Her research group uses multi-scale modeling to discover protein-sugar interactions and to harness them for renewable energy and improved health. The study of carbohydrate-protein interactions is an important step to create renewable fuels and chemicals from non-food biomass, and the results can be applied to several human diseases, including cancer and autoimmune disorders. Prof. Mayes uses computational tools in her research, including quantum mechanics, molecular dynamics, and rare-event sampling methods. She collaborates with experimental groups to understand past and guide future wet-lab studies to advance renewable chemicals and fuels, as well as disease understanding.