Publications and manuscripts

AI-Assisted SERS Decoding of Dual Enzymatic Activity for Intraoperative Chemical Mapping of Epilepsy

Co-first author · second-listed author

Led AI-assisted sequence and structural design of the MMP-2 peptide substrate, supporting matched dual-enzyme kinetics in a rapid surface-enhanced Raman scattering (SERS) platform.

ProBID-Net: A Deep Learning Model for Protein–Protein Binding Interface Design

First author

Navigating Protein Fitness Landscapes Through Simulated Evolutionary Jumps

First author · SPIN-JEvo

ThermoSeek: An Integrated Web Resource for Sequence and Structural Analysis of Proteins from Thermophilic Species

First author

Research progress of artificial intelligence in designing protein structures

First author · Review (in Chinese)

Evolution-guided diffusion enables large-step exploration of functional protein sequence space from single sequences

Second author · EvoGUD

PLANET: A Multi-objective Graph Neural Network Model for Protein–Ligand Binding Affinity Prediction

Co-author

Cooperative Active-Site Remodeling Couples Catalytic Efficiency and Stereoselectivity in L-Threonine Aldolase

Co-first author

Performed quantum-mechanical (QM) calculations, molecular dynamics (MD) simulations, and trajectory analysis to investigate the structural and energetic basis of active-site remodeling in L-threonine aldolase, integrating local electronic-energy comparisons in enzyme-cluster models with analyses of complex stability and conformational fluctuations.