UC Davis

This work explores the vast field of computational enzyme design. Chapter 1 emphasizes the significance of characterizing proteins, with a focus on soluble starch synthases, an essential enzyme in wheat starch deposition. Chapter 2 introduces enzymatic cascades for discovering a novel approach to producing rare sugars. The utilization of computational modeling helps unveil the key enzymes in the cascade and elucidates a mechanism to identify phosphatases, driving the energetically favorable step for releasing these sugars. In the concluding Chapter 3, the combination of previous characterization data and computational calculations leads to the development of a novel oxidase with potential applications in biosensors. By integrating characterization information and computational workflows, the goal is to contribute to the understanding of how computational enzyme engineering shapes the future of biotechnology and advances various industries.