Laboratory of Protein Dynamic Structure and Function Prediction and Molecular Discovery
May 18, 2026

Lab Leader:Shaoyong Lu

Lab Name:Laboratory of Protein Dynamic Structure and Function Prediction and Molecular Discovery

Lab Info:Our labis dedicated to the prediction of protein dynamic structures and functions, as well as the molecular discovery process. Specially, we focus on identifying small molecule binding sites forundruggable proteins and discovering associated molecules.

The research interests include:

1.Prediction of proteindynamic structure and function. This involves employing enhanced sampling techniques and AI-based methodologies tocomprehensively characterize theconformational ensembles of proteins.

2.Molecular discovery. This focuses on identifying small molecules targeting undruggable proteins by leveraging their dynamic conformational ensembles.

Lab Members:

Name Title Email
Dr. Jianxiang Huang Research Fellow jxhuang@sjtu.edu.cn