Bowen Gao

Coder as Editor: Code‑driven Interpretable Molecular Optimization

Drugging the Undruggable: Benchmarking and Modeling Fragment-Based Screening

AANet: Virtual Screening under Structural Uncertainty via Alignment and Aggregation

CIDD: Collaborative Intelligence for Structure-Based Drug Design Empowered by LLMs

Redefining the task of Bioactivity Prediction

Reframing Structure-Based Drug Design Model Evaluation via Metrics Correlated to Practical Needs

FIGRDock: Fast Interaction-Guided Regression for Flexible Docking