PhD, 2019, East China University of Science & Technology
BE, 2013, East China University of Science & Technology
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.