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protein-ligand interaction

6 papers

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Co-occurring keywords · papers mentioning both

binding affinity (3) structure-based drug design (3) diffusion model (3) molecular representation (2) molecule generation (2) protein pocket generation (1) target-aware generation (1) differentiable pooling (1) triangle attention (1) group binding (1)

Papers

CheapNet: Cross-attention on Hierarchical representations for Efficient protein-ligand binding Affinity Prediction ICLR 2025 Fragment and Geometry Aware Tokenization of Molecules for Structure-Based Drug Design Using Language Models ICLR 2025 Group Ligands Docking to Protein Pockets ICLR 2025 Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization NeurIPS 2024 Generalized Protein Pocket Generation with Prior-Informed Flow Matching NeurIPS 2024 Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models ICLR 2024