TPCB Faculty
Jiankun Lyu, PhD
Rockefeller University
Education
PhD, 2019, East China University of Science & Technology
BE, 2013, East China University of Science & Technology
Research Topics
- Bioactive Small Molecules
- Rational drug design
- Chemical probe development
- Biotechnology
- Protein Engineering
- Computational Chemistry
- Cheminformatics
- Docking
- Protein modeling
Therapeutic Areas
- Cancer
- Immunology
- Microbiology
- Neuroscience
- Virology
The Lyu lab is particularly interested in molecular docking, a structure-based virtual screening method that can be used to evaluate virtual libraries of great size and diversity, followed by selection of the best-fitting molecules for synthesis and testing. Recently, “make-on-demand” virtual libraries containing billions of molecules have become available to the community, providing a gold mine for ligand discovery. The lab pursues technically novel approaches to unlock this huge, accessible chemical space for structure-based drug design and to deepen our understanding of how structure and chemical space expansion can be used to develop chemical tools to explore biology.
Read more about Prof. Lyu’s research on the Rockefeller website