"protein-ligand docking" Papers

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

Bowen Gao, Yanwen Huang, Yiqiao Liu et al.

NEURIPS 2025

Harmonic Self-Conditioned Flow Matching for joint Multi-Ligand Docking and Binding Site Design

Hannes Stärk, Bowen Jing, Regina Barzilay et al.

ICML 2024