Xinzhe Zheng

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.
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 !
Aug, 2025	“Democratizing protein language model training, sharing and collaboration” is accepted by *Nature Biotechnology Brief Communications* ! Glad to contribute this work as an OMPC member.
Aug, 2025	“NeurIT” serires of works are accepted by *ICRA 2025* and *IEEE Transactions on Mobile Computing*. Congratulations to the team !
Jun, 2025	“Sequence Display-Enabled Machine Learning for Protein Evolution” is presented at *2025 Synthetic Biology: Engineering, Evolution, & Design*, see our poster. Nice collaboration with Prof. Han Xiao’s lab at Rice University.
May, 2025	“ProMind” series of works are accepted by *ACM SenSys (poster)* and *ACL 2025* ! Congrats to the team ! See our poster.
Jan, 2025	I joined NUS as a master student, looking forward to the new journey !