This paper-specific evaluation tests Intrinsically disordered protein ensemble docking using α-synuclein Ligand 47 MD ensemble.
Explanatory profile: limited source coverage · Automated source review, 2026-09-16. This does not change the review status of its results.
| Property | Description and evidence |
|---|---|
| Record type | Paper-specific task; protocol incompletely extractedEnsemble docking for intrinsically disordered proteins · Table 2, Ligand 47 row, AutoDock Vina Holo Docking column; Table 2, Ligand 47 row, DiffDock Holo Docking column |
| Inputs | α-synuclein Ligand 47 MD ensembleEnsemble docking for intrinsically disordered proteins · Table 2, Ligand 47 row, AutoDock Vina Holo Docking column; Table 2, Ligand 47 row, DiffDock Holo Docking column |
| Assessment | Docked frames best-matched RMSD <3 ÅEnsemble docking for intrinsically disordered proteins · Table 2, Ligand 47 row, AutoDock Vina Holo Docking column; Table 2, Ligand 47 row, DiffDock Holo Docking column |
| Recorded split or evaluation setting | UnextractedEnsemble docking for intrinsically disordered proteins · Table 2, Ligand 47 row, AutoDock Vina Holo Docking column; Table 2, Ligand 47 row, DiffDock Holo Docking column |
| Datasets | Not extracted or verified for this record. |
| Organisms | Not extracted or verified for this record. |
| Assays | Not extracted or verified for this record. |
| Adaptation | Not extracted or verified for this record. |
| Baselines | Not extracted or verified for this record. |
Outline of the existing paper extraction. Split membership, fitting details and scorer implementation remain incompletely reviewed.
The existing paper extraction describes: Fraction of docked frames within 3 Å of MD-observed bound pose; holo protein ensemble. This description is retained with the exact evaluation records; it is not a new protocol reconstruction.
Ensemble docking for intrinsically disordered proteins · Table 2, Ligand 47 row, AutoDock Vina Holo Docking column; Table 2, Ligand 47 row, DiffDock Holo Docking columnRelease 2026-09-16-d74d282221a9 · 2 evaluations · 2 metric rows. Different protocols are not a single leaderboard.
| Metric and finding | Coverage and uncertainty | Evidence |
|---|---|---|
| AutoDock Vina holo: Intrinsically disordered protein ensemble docking Model: AutoDock Vina holo · Benchmark: Intrinsically disordered protein ensemble docking · Dataset: α-synuclein Ligand 47 MD ensemble Fraction of docked frames within 3 Å of MD-observed bound pose; holo protein ensemble. Independent external evaluation · Evaluation metadata: needs review | ||
| 27.96 Docked frames best-matched RMSD <3 Å Unit: % · Direction: unknown | Uncertainty: not reported in legacy extract Scored: Not reported · Eligible: Not reported | source checkedEnsemble docking for intrinsically disordered proteins · Table 2, Ligand 47 row, AutoDock Vina Holo Docking column Source checking is not independent reproduction. |
| DiffDock holo: Intrinsically disordered protein ensemble docking Model: DiffDock holo · Benchmark: Intrinsically disordered protein ensemble docking · Dataset: α-synuclein Ligand 47 MD ensemble Fraction of docked frames within 3 Å of MD-observed bound pose; holo protein ensemble. Independent external evaluation · Evaluation metadata: needs review | ||
| 21.32 Docked frames best-matched RMSD <3 Å Unit: % · Direction: unknown | Uncertainty: not reported in legacy extract Scored: Not reported · Eligible: Not reported | source checkedEnsemble docking for intrinsically disordered proteins · Table 2, Ligand 47 row, DiffDock Holo Docking column Source checking is not independent reproduction. |
Catalogue extraction inspected; protocol claims remain limited to the cited evidence. Missing details are not presumed absent from the original paper.
Stable record: reported-task-dec9e0f5e3da2aRelease 2026-09-16-d74d282221a9 · Record review: needs review
Stable ID: reported-task-dec9e0f5e3da2a