DOCK Blaster:Calibration docking

This is the explanation of the calibration docking table.

If you supplied a ligand in mol2 format, then DOCK Blaster will have attempted to re-dock it and re-score it. Like a human expert, DOCK Blaster experiments with different sampling schemes ("Coarser", "Finer") and scoring schemes ("AMBER", "Polarized").

Since it is important not only to recapitulate the pose but also the rank of the ligand, we also dock 100 physically-matched decoys using the same four parameterization schemes.

The Summary Report of Calibration Docking presents the results of this docking in a compact table. Each table entry has two numbers separated by a forward slash (/): the pose fidelity as RMSD difference with the cystallographic ligand and the 0-origin rank compared to property matched decoys. The results are color coded for clarity. Green is good, yellow is borderline, and red is bad. You are wise to review the results yourself, which may be done by clicking on "Poses and scores" below the table.