rewire.it
Paper-reported evidence

Ensemble docking for intrinsically disordered proteins

2025 · Preprint · preprint archived 2025-01-26

Paper-reported results. The values below come from this source, not an independent rewire.it run.

Open primary paper →DOI: 10.1101/2025.01.23.634614

Primary full text verified using Europe PMC XML; venue: bioRxiv; PMC ID: PMC11785235.

2 verified numerical rows · source checked 2026-09-15

Paper-reportedIndependent paper evaluation

AutoDock Vina holo

Intrinsically disordered protein ensemble docking

Reported score
27.96%
Metric
Docked frames best-matched RMSD <3 Å
Dataset / split
α-synuclein Ligand 47 MD ensemble

Fraction of docked frames within 3 Å of MD-observed bound pose; holo protein ensemble.

Table 2, Ligand 47 row, AutoDock Vina Holo Docking columnVerify at source →
Paper-reportedIndependent paper evaluation

DiffDock holo

Intrinsically disordered protein ensemble docking

Reported score
21.32%
Metric
Docked frames best-matched RMSD <3 Å
Dataset / split
α-synuclein Ligand 47 MD ensemble

Fraction of docked frames within 3 Å of MD-observed bound pose; holo protein ensemble.

Table 2, Ligand 47 row, DiffDock Holo Docking columnVerify at source →