Xinzhe Zheng

I am currently a first-year Ph.D. student in Integrative Science and Engineering at the National University of Singapore, advised by Prof. Yatao Bian and Prof. Bin Liu.

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

Aug, 2026	I began my Ph.D. studies at the *National University of Singapore (NUS)*. Excited for this new chapter!
Aug, 2026	I am serving as a Technical Program Committee (TPC) member for HumanSys, an *ACM MobiCom 2026* workshop.
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.
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 OPMC member.
Aug, 2025	“NeurIT” series 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.