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Docking results

Sortable table and score distributions for docking results. The default view collapses poses to one best pose per ligand so decisions start from compounds, not pose duplicates.

DB demo
11 ligands default: one best pose per compound
L. major PTR1 · T04
L. major PDB 7PXX
Protein: Pteridine reductase 1
# Compound Alt poses Score ▲ Final rank Inter norm H-bonds Contacts Assessment ↕ GDS
1 ulfkktlib_3276
T04
0 -25.557 -0.6785 -2.8396 3 5 Promising
2 TC287
T04
0 -27.022 0.3592 -1.8591 5 10 Promising
3 Z30206012
T04
0 -20.560 1.6708 -1.0232 2 11 Weak
4 NMT-TY0834
T04
0 -25.241 0.0030 -2.0054 4 11 Promising
5 Z55185189
T04
0 -24.880 2.2803 -1.0328 4 11 Weak

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