PoseX benchmark shows AI docking and co-folding methods outperforming physics-based methods on cross-docking success rates, with relaxation reducing clashes and pocket specification improving results.
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PoseX: AI Defeats Physics Approaches on Protein-Ligand Cross Docking
PoseX benchmark shows AI docking and co-folding methods outperforming physics-based methods on cross-docking success rates, with relaxation reducing clashes and pocket specification improving results.