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. 2020 Mar 20;5(12):6628–6640. doi: 10.1021/acsomega.9b04403

Table 4. Comparison between Running DOCK 6 Using Ligand Conformations Provided by AutoDock Vina vs Running DOCK 6 Using Original Ligands.

    AUC-ROC
 
family PDB code Dock 6 Dock 6 after AutoDock Vina AUC-ROC curve improvement (%)
kinase 1H00 0.85 0.96 13
2QD9 0.48 0.59 23
metalloenzyme 3BKL 0.57 0.81 42
nuclear hormone receptor 2AM9 0.35 0.46 31
3KBA 0.56 0.56 0
folate enzyme 3NX0 0.63 0.80 27
serine protease 2AYW 0.90 0.95 6
other enzymes 1XL2 0.63 0.76 21