| Configuration: Boltz-1 | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 60.6% chirality percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceBoltz-1 · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: percentage of molecules with consistent chirality Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz-1; column chirality; footnote a |
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| Configuration: Boltz Rc | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 0.3 angle_rmsd degree · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceBoltz Rc · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: unreported in Table 1 footnote Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz Rc; column angle_rmsd; footnote a |
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| Configuration: Vina | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · docking with ground-truth-centred search box Dataset subset: Plinder-L95 | 100% chirality percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceVina · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: percentage of molecules with consistent chirality Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Vina; column chirality; footnote a |
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| Configuration: Boltz R1 | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 99.8% chirality percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceBoltz R1 · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: percentage of molecules with consistent chirality Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz R1; column chirality; footnote a |
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| Configuration: DiffDock | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · rigid-receptor docking Dataset subset: Plinder-L95 | 0 angle_rmsd degree · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceDiffDock · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: unreported in Table 1 footnote Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row DiffDock; column angle_rmsd; footnote a |
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| Configuration: Boltz-1 | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 0.0283 bond_rmsd angstrom · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceBoltz-1 · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: median Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz-1; column bond_rmsd; footnote a |
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| Configuration: DiffDock | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · rigid-receptor docking Dataset subset: Plinder-L95 | 100% chirality percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceDiffDock · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: percentage of molecules with consistent chirality Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row DiffDock; column chirality; footnote a |
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| Configuration: DiffDock | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · rigid-receptor docking Dataset subset: Plinder-L95 | 0 bond_rmsd angstrom · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceDiffDock · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: median Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row DiffDock; column bond_rmsd; footnote a |
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| Configuration: Boltz-1 | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 0.438 angle_rmsd degree · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceBoltz-1 · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: unreported in Table 1 footnote Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz-1; column angle_rmsd; footnote a |
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| Configuration: Vina | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · docking with ground-truth-centred search box Dataset subset: Plinder-L95 | 0 angle_rmsd degree · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceVina · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: unreported in Table 1 footnote Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Vina; column angle_rmsd; footnote a |
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| Configuration: AF3 | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 0.19 angle_rmsd degree · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceAF3 · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: unreported in Table 1 footnote Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row AF3; column angle_rmsd; footnote a |
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| Configuration: Boltz Rc | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 0.407 protein_rmsd angstrom · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceBoltz Rc · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: median Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz Rc; column protein_rmsd; footnote a |
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| Configuration: Boltz R | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 100% chirality percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceBoltz R · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: percentage of molecules with consistent chirality Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz R; column chirality; footnote a |
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| Configuration: AF3 | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 0.998 ligand_rmsd angstrom · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceAF3 · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: median Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row AF3; column ligand_rmsd; footnote a |
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| Configuration: Boltz R1 | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 0.897 angle_rmsd degree · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceBoltz R1 · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: unreported in Table 1 footnote Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz R1; column angle_rmsd; footnote a |
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| Configuration: Boltz R | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 0.41 protein_rmsd angstrom · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceBoltz R · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: median Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz R; column protein_rmsd; footnote a |
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| Configuration: AF3 | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 70.8% chirality percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceAF3 · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: percentage of molecules with consistent chirality Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row AF3; column chirality; footnote a |
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| Configuration: Boltz R | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 0.0448 angle_rmsd degree · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceBoltz R · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: unreported in Table 1 footnote Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz R; column angle_rmsd; footnote a |
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| Configuration: Boltz R | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 0.0003 bond_rmsd angstrom · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceBoltz R · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: median Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz R; column bond_rmsd; footnote a |
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| Configuration: AF3 | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 0.363 protein_rmsd angstrom · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceAF3 · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: median Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row AF3; column protein_rmsd; footnote a |
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| Configuration: Boltz Rc | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 0.0215 bond_rmsd angstrom · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceBoltz Rc · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: median Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz Rc; column bond_rmsd; footnote a |
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| Configuration: Boltz-1 | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 0.404 protein_rmsd angstrom · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceBoltz-1 · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: median Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz-1; column protein_rmsd; footnote a |
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| Configuration: Vina | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · docking with ground-truth-centred search box Dataset subset: Plinder-L95 | 0 bond_rmsd angstrom · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceVina · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: median Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Vina; column bond_rmsd; footnote a |
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| Configuration: Boltz R1 | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 0.0345 bond_rmsd angstrom · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceBoltz R1 · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: median Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz R1; column bond_rmsd; footnote a |
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| Configuration: Boltz R | Protocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · co-folding Dataset subset: Plinder-L95 | 1.38 ligand_rmsd angstrom · lower Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceBoltz R · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries Aggregation: median Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz R; column ligand_rmsd; footnote a |
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