protein-ligand binding

Learning Protein–Ligand Binding in Hyperbolic Space AAAI 2026 PLA-MGRA: Multi-Granularity and Relation-Aware Learning for Efficient and Generalizable Protein-Ligand Binding Affinity Prediction AAAI 2026 SculptDrug: A Spatial Condition-Aware Bayesian Flow Model for Structure-based Drug Design AAAI 2026 Binding-Adaptive Diffusion Models for Structure-Based Drug Design AAAI 2024 FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling NeurIPS 2024 Protein-ligand binding representation learning from fine-grained interactions ICLR 2024 Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design NeurIPS 2024 SPARK: Harnessing Human-Centered Workflows with Biomedical Foundation Models for Drug Discovery IJCAI 2024 DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking ICLR 2023 FABind: Fast and Accurate Protein-Ligand Binding NeurIPS 2023 Unsupervised Protein-Ligand Binding Energy Prediction via Neural Euler's Rotation Equation NeurIPS 2023 EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction ICML 2022 TANKBind: Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure Prediction NeurIPS 2022