Yanyan Lan

Coder as Editor: Code‑driven Interpretable Molecular Optimization

Drugging the Undruggable: Benchmarking and Modeling Fragment-Based Screening

Modeling SRP-LSH Performance: A Theoretical Framework for Optimizing Approximate Nearest Neighbor Search

Straight-Line Diffusion Model for Efficient 3D Molecular Generation

AANet: Virtual Screening under Structural Uncertainty via Alignment and Aggregation

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

Manipulating 3D Molecules in a Fixed-Dimensional E(3)-Equivariant Latent Space

Redefining the task of Bioactivity Prediction

UniGEM: A Unified Approach to Generation and Property Prediction for Molecules

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

FIGRDock: Fast Interaction-Guided Regression for Flexible Docking

MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding Analysis

Visual Transformation Telling