Zhongyue (John) Yang, Ph.D.
Assistant Professor, Chemistry
- : zhongyue.yang@vanderbilt.edu
- :
5154B Medical Research Building 3 (MRBIII)
- : More Information/Publications
- : Lab Website
Areas of Interest: Protein Structure & Function; High-Throughput Technology; X-ray Crystallography
Member: Data Science Institute
Biomolecules are the building blocks for all life processes and the cornerstones for modern catalytic and pharmaceutical industry. The insights into their interactions and chemical transformations are essential for developing new drugs, biocatalysts, and therapeutic strategies. Enabled by the rapid evolution of computing power and data science algorithms, simulating the structure, dynamics, and chemical functions of biomolecules are now faster and more accurate than ever. This grants us a special opportunity to innovate the high-throughput computational protocols to accelerate the design and discovery of functional biomolecules. My research group focuses on integrating first-principles simulation and data-driven modeling to automatically evaluate, understand, and design functional biomolecules for catalytic and biomedical applications.