DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL3965610_dpp4

Atoms: 351
Models: 9
Best Energy: -9.916 kcal/mol

Binding Energies:
  • Pose 1: -9.916 kcal/mol
  • Pose 2: -8.871 kcal/mol
  • Pose 3: -8.776 kcal/mol
  • Pose 4: -8.664 kcal/mol
  • Pose 5: -8.634 kcal/mol
  • Pose 6: -8.341 kcal/mol
  • Pose 7: -8.314 kcal/mol
  • Pose 8: -8.286 kcal/mol
  • Pose 9: -8.277 kcal/mol
CHEMBL3965610_dpp4
Energy Plot
RMSD Scatter Plot