Xinzhe Zheng
AI for Protein | AI for Drug Discovery
I am currently a Ph.D. candidate in Integrative Science and Engineering at the National University of Singapore.
My research interests lie at the intersection of AI and the life sciences, with a particular focus on AI for Proteins (including protein evolution, design, and structure prediction) and AI for Drug Discovery (especially structure-based drug design).
I have been fortunate to gain research experience at several leading institutions. During my master’s studies at the National University of Singapore, I was supervised by Prof. Yang Zhang and Dr. Zhiyuan Liu. At the University of Florida, I worked with Prof. Yanjun Li; at Rice University, I was mentored by Prof. Han Xiao; and at Caltech, I collaborated with Dr. Sijie Ji. Before joining NUS, I received my Bachelor’s degree in Information Engineering from the Beijing University of Posts and Telecommunications.
news
| Jun, 2026 | “Improving protein and protein interactions using pseudo-dimers derived from monomeric proteins” is accepted by Nature Communications, see our online server and code at GitHub. |
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| Mar, 2026 | “GLASS2: An Updated Database for Comprehensive Experimentally Validated GPCR-ligand Associations” is accepted by Journal of Molecular Biology, see our online server. |
| Feb, 2026 | “Sequence Display enables large-scale sequence–activity datasets for rapid protein evolution” is accepted by Nature Biotechnology, see our codebase. Nice collaboration with Prof. Han Xiao’s lab at Rice University. |
| Nov, 2025 | “Apo2Mol” is accepted by AAAI 2026 ! Nice collaboration with Prof. Yanjun Li at University of Florida. |
| Sep, 2025 | “PRING: Rethinking Protein-Protein Interaction Prediction from Pairs to Graphs” is accepted by NeurIPS 2025. Congratulations to the team ! |