Computational Enzyme Design: Progress and Obstacles

Computational enzyme design has been an expanding frontier in scientific development and application. The ongoing challenges in this field center on the accurate modeling of an enzyme’s behavior when mutations are introduced. Ideally, the recognition of valuable mutations and discarding ineffectual ones is decisive so that in vitro work is drastically economized. Additionally, complimentary effects between mutations may be determined. This can lead to designed enzymes that were otherwise inaccessible through traditional. This modeling has become increasingly complex as more tools are developed to address the precise needs of enzymatic efficiency and efficacy. The rapid growth of this field means that it is easy to be unaware of developments that would meet the needs of interlaboratory efforts. Last year, a review detailing the most recent developments and focuses within computational enzyme design over the last 5 years was accepted. This talk draws from this review to discuss the significant developments of computational enzyme design within the last five years and unique solutions to long-standing issues.