binding affinity

8 papers

• CIDD: Collaborative Intelligence for Structure-Based Drug Design Empowered by LLMs
• CPSea: Large-scale cyclic peptide-protein complex dataset for machine learning in cyclic peptide design
• Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration
• DecoyDB: A Dataset for Graph Contrastive Learning in Protein-Ligand Binding Affinity Prediction
• Latent Retrieval Augmented Generation of Cross-Domain Protein Binders
• Pareto-Optimal Energy Alignment for Designing Nature-Like Antibodies
• Prior-Guided Flow Matching for Target-Aware Molecule Design with Learnable Atom Number
• RiboFlow: Conditional De Novo RNA Co-Design via Synergistic Flow Matching