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blind docking

3 papers

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Co-occurring keywords · papers mentioning both

molecular docking (3) geometric deep learning (2) drug binding prediction (1) pocket prediction (1) ligand binding (1) drug binding (1) se(3)-equivariant model (1) physical validity (1) confidence bootstrapping (1) protein-ligand binding (1)

Papers

Deep Confident Steps to New Pockets: Strategies for Docking Generalization ICLR 2024 DeltaDock: A Unified Framework for Accurate, Efficient, and Physically Reliable Molecular Docking NeurIPS 2024 EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction ICML 2022