We have established a connection between natural sequence data and enzyme activity/stability (PNAS, 2022), prompting us to introduce the concept of ‘evolutionary catalysis (NSR, 2023).’ Our research provides a fresh perspective on enzyme catalysis and evolution, marking the beginning of an exciting journey. We are committed to pioneering in this field using both computation and experiment.
Rational Enzyme Engineering
We have showcased the utilization of natural sequence data to enhance enzyme activity/stability (PNAS, 2023). Currently, our lab is heavily involved in enzyme engineering across diverse areas, such as natural product biosynthesis. Additionally, we are conducting bioinformatics analysis and genome mining to discover novel enzymes of interest.
AI-Driven Drug Discovery
Our focus lies in employing AI and computational chemistry for the purpose of designing drugs that target enzymes (JACS, 2022). Specifically, we concentrate on achieving drug selectivity. This necessitates the utilization of AI for molecular representation and generation, alongside computational chemistry for assessing drug selectivity.