"protein-ligand binding" Papers

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Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation

Zhilin Huang, Ling Yang, Xiangxin Zhou et al.

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

Yufei Huang, Odin Zhang, Lirong Wu et al.

ICML 2024spotlightarXiv:2402.11459

Structure-based drug design by denoising voxel grids

Pedro O. Pinheiro, Arian Jamasb, Omar Mahmood et al.

ICML 2024arXiv:2405.03961