Artificial Intelligence for Drug Design

Honglin Li is the dean of the School of Pharmacy at East China Normal University and Director of the Innovation Center for AI and Drug Discovery. His research focuses on the development and application of computational methodologies for drug discovery and target identification, integrating artificial intelligence with experimental and theoretical approaches.

Mingyue Zheng is the professor and principal investigator at the Shanghai Institute of Materia Medica, Chinese Academy of Sciences. His work focuses on the development of artificial intelligence and big data-driven drug design technologies, including methods for biomedical big data mining, AI-powered precision drug design, and the discovery of novel targets and drug candidates.

Feng Zhu  is a professor at the College of Pharmaceutical Science, Zhejiang University. His research focuses on identifying the druggability of therapeutic drug targets by leveraging AI and OMICs, developing innovative computational methods and online tools for drug target discovery, and investigating the mechanisms between drugs and key biological targets.

Fang Bai is an associate professor jointly appointed in the School of Life Science and Technology and the Shanghai Institute for Advanced Immunochemical Studies at ShanghaiTech University. Her research focuses on developing advanced computational methods for drug design that integrate artificial intelligence with physical modeling. Recently, her work has addressed challenging drug targets—such as protein-protein interactions—by designing innovative therapeutic strategies, including molecular glues and PROTACs (proteolysis-targeting chimeras).