Please call me Kevin :) I received my PhD from City University of Hong Kong in 2017. I completed my postdoctoral training at the College of Pharmacy, Ohio State University, United States (2017-2021). I then worked as fellow at Shanghai Institute for Advanced Study, Zhejiang University (2021-2024). Meanwhile, I were a postdoctoral researcher at the Institute of Quantitative Biology, College of Life Sciences of Zhejiang University and Center for Precision Medicine of Shenzhen Luohu People’s Hospital. I joined Xi’an Jiaotong-Liverpool University as Assistant Professor in 2024. 

Since my PhD, I have pursued an interdisciplinary research program on the interface of molecular simulation, drug discovery and machine learning. My current research interests are artificial intelligence for biomolecular dynamics (AI for Science) and molecular simulations of various complex biomolecular systems, including the human immunological synapse, the bacterial membrane protein assembly, the CRISPR genome editing tools, and design of molecular glues for protein machinery. I published 20+ articles in peer-reviewed journals, including Nature, Nature Communications, PNAS, JCTC, JCIM, JPCB etc. I also actively serve in the academic community as reviewer for Nature, Cell Press, RSC, ACS journal series, committee member of The Bioinformatics Society of China, The Bioinformatics Society of Jiangsu Province, and member of Biophysical Society, American Chemical Society (COMP), The Protein Society.

My work integrates computational modeling, machine learning, and molecular biology to unravel and engineer biomolecular systems. I am particularly interested in how artificial intelligence can accelerate discovery in molecular sciences—from fundamental insights into cellular processes to the design of next-generation therapeutics.

Academic Research Interests

• AI for Biomolecular Dynamics: Leveraging machine learning and physics-based simulations to characterize dynamic processes in proteins, membranes, and molecular complexes.
• Human Immunological Synapse: Investigating nanoscale organization and signaling mechanisms that drive immune cell activation and communication.
• Bacterial Membrane Protein Assembly: Uncovering the folding pathways and structural determinants of bacterial membrane protein biogenesis.
• CRISPR and Genome Editing Mechanisms: Studying conformational transitions and structure–function relationships in CRISPR-associated protein assemblies.

Applied & Industry-Oriented Focus

• Drug Discovery and Design: Leveraging molecular modeling, AI, and structural insights to accelerate hit identification and optimization. Building predictive and generative models to guide biomolecule design and optimization.
• Vaccine and Immunotherapy Development: Integrating computational immunology and protein engineering to design antigenic proteins and peptide-based vaccines.
• AI-Enhanced Drug Delivery Systems: Applying ML and MD to design and refine nanoparticle carriers, peptide-based vehicles, and biomimetic delivery platforms for precise and efficient therapeutic delivery.
• Molecular Glues and Targeted Protein Degradation: Designing molecules that modulate protein–protein interactions for therapeutic applications.

2024-Present - Assistant Professor, Xi'an Jiaotong-Liverpool University, Suzhou, CN

2021-2024 - Postdoc and Fellow, Zhejiang University, Shanghai/Hangzhou, CN

2017-2021 - Postdoc, The Ohio State University, Columbus, US

SCI101 Introduction to Artificial Intelligence for Science

BIO110 Physics for Life Sciences

BIO220 Introduction to Computational Biology

BIO311 Modeling for Computational Biology