"flexible docking" Papers

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FIGRDock: Fast Interaction-Guided Regression for Flexible Docking

Shikun Feng, Bicheng Lin, Yuanhuan Mo et al.

NEURIPS 2025

Re-Dock: Towards Flexible and Realistic Molecular Docking with Diffusion Bridge

Yufei Huang, Odin Zhang, Lirong Wu et al.

ICML 2024spotlightarXiv:2402.11459
22
citations