conftrace_

pocket prediction

2 papers

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Co-occurring keywords · papers mentioning both

molecular docking (2) physical validity (1) binding pose prediction (1) ligand binding (1) blind docking (1) protein-ligand binding (1) drug discovery (1) geometric deep learning (1)

Papers

DeltaDock: A Unified Framework for Accurate, Efficient, and Physically Reliable Molecular Docking NeurIPS 2024 FABind: Fast and Accurate Protein-Ligand Binding NeurIPS 2023