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protein pocket

6 papers

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Co-occurring keywords · papers mentioning both

molecular generation (3) 3d molecule generation (2) graph neural network (2) structure-based drug design (2) drug design (2) subpocket prototype (1) hierarchical graph transformer (1) equivariant network (1) molecular sampling (1) hypergraph representation (1)

Papers

Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models AAAI 2026 PAMol: Pocket-Aware Drug Design Method with Hypergraph Representation of Protein Pocket Structure and Feature Fusion IJCAI 2025 Full-Atom Protein Pocket Design via Iterative Refinement NeurIPS 2023 Learning Subpocket Prototypes for Generalizable Structure-based Drug Design ICML 2023 Uni-Mol: A Universal 3D Molecular Representation Learning Framework ICLR 2023 Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets ICML 2022