Team
Principal Investigator
Prof. Yang Chao
Position: Assistant Professor
Email: yang.chao@suat-sz.edu.cn
Office: Room 624, Tianshu Building No.2
Bio: Prof. Chao Yang is a computational chemist specializing in AI-driven drug discovery, structure-based molecular design, and ultra-large-scale virtual screening. He received his Ph.D. in Computational Chemistry from New York University under the supervision of Prof. Yingkai Zhang. Prior to joining Shenzhen University of Advanced Technology (SUAT), he worked as a Postdoctoral Fellow at The Rockefeller University, where he contributed to the development of combinatorial docking methods and AI-accelerated virtual screening technologies.
Research Interests:
- AI-assisted drug discovery and generative molecular design
- Structure-based virtual screening and protein–ligand docking
- Machine learning scoring functions and molecular modeling
PhD Students
Master’s Students
Bocheng Xie
Bio: Bocheng received his undergraduate degree at Shihezi University, and he is pursuing his Master degree at SUAT & SUSTech.
Research Project: Evaluating protein structure prediction models using small molecule binding pockets
Undergraduate Research Assistants
Visiting Students
Yutong Zhou
Bio: Yutong is an undergraduate student at University College London.
Research Project: Developing conditional deep learning models for ligand generation, with an interest in applying machine learning methods to molecular design and drug discovery.