Yaojun Zhu

This paper develops a computational framework to prioritize de novo protein binders for small molecules based on ligand physicochemical properties and evaluates its effectiveness across different ligand types.

This paper presents a computational framework to design catalytic antibodies by transferring enzyme active site geometry into antibody CDRs, enabling controlled catalytic residue arrangement and improved chemical turnover.

This paper develops a dual-layer computational framework to identify therapeutic candidates targeting EV-mediated immune escape in PDAC by integrating gene prioritization and small-molecule design with antibody-like binder models.

This study designs compact protein binders targeting BabA, an H. pylori adhesin, using a structure-guided computational pipeline integrating structural, sequence, and evolutionary analyses.