| Seq2Bind Webserver for Decoding Binding Hotspots directly from Sequences using Fine-Tuned Protein Language Models | Jun 16, 2025 | Blind Docking | —Unverified | 0 |
| PoseX: AI Defeats Physics Approaches on Protein-Ligand Cross Docking | May 3, 2025 | Blind DockingMolecular Docking | CodeCode Available | 2 |
| SE(3)-Equivariant Ternary Complex Prediction Towards Target Protein Degradation | Feb 26, 2025 | Blind DockingDecoder | CodeCode Available | 1 |
| Fast and Accurate Blind Flexible Docking | Feb 20, 2025 | Blind DockingComputational Efficiency | CodeCode Available | 2 |
| Accurate Pocket Identification for Binding-Site-Agnostic Docking | Feb 4, 2025 | Blind DockingDrug Design | CodeCode Available | 1 |
| Group Ligands Docking to Protein Pockets | Jan 25, 2025 | Blind DockingMolecular Docking | —Unverified | 0 |
| FlowDock: Geometric Flow Matching for Generative Protein-Ligand Docking and Affinity Prediction | Dec 14, 2024 | Blind DockingDrug Discovery | CodeCode Available | 3 |
| GNNAS-Dock: Budget Aware Algorithm Selection with Graph Neural Networks for Molecular Docking | Nov 19, 2024 | Blind DockingDrug Discovery | —Unverified | 0 |
| DeltaDock: A Unified Framework for Accurate, Efficient, and Physically Reliable Molecular Docking | Oct 15, 2024 | Blind DockingDrug Design | CodeCode Available | 1 |
| GeoDirDock: Guiding Docking Along Geodesic Paths | Apr 9, 2024 | Blind DockingDenoising | —Unverified | 0 |
