DockQ

(pDockQ redirects here) DockQ is a metric ranging from zero to one that is used to evaluate predicted structures of protein complexes (1):

$$DockQ=\frac{1}{3}\left(f_{nat}+\frac{1}{1+{\left(\frac{iRMSD}{1.5}\right)}^2}+\frac{1}{1+{\left(\frac{LRMSD}{8.5}\right)}^2}\right)$$

$f_{Nat}$: Fraction of native contacts $iRMSD$: Interface RMSD $LRMSD$: Ligand RMSD A DockQ value of 0.23 or better is usually treated as a correctly docked pose.

Details

Ref (2)

Details

A pDockQ of 0.50 was found to filter out nearly all false positives in a study on predicting protein-protein interactions (3).

Ref (3)

1.

Basu S, Wallner B. DockQ: A Quality Measure for Protein-Protein Docking Models. PLOS ONE. 2016;11(8):e0161879. Available from: https://doi.org/10.1371/journal.pone.0161879

2.

Hitawala FN, Gray JJ. What does AlphaFold3 learn about antigen and nanobody docking, and what remains unsolved?. openRxiv; 2024. Available from: https://doi.org/10.1101/2024.09.21.614257

3.

Burke DF, Bryant P, Barrio-Hernandez I, Memon D, Pozzati G, Shenoy A, et al. Towards a structurally resolved human protein interaction network. Nature Structural & Molecular Biology. 2023;30(2):216–25. Available from: https://doi.org/10.1038/s41594-022-00910-8