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

Docking Result

CHEMBL434886_dpp4

Atoms: 126
Models: 9
Best Energy: -4.855 kcal/mol

Binding Energies:
  • Pose 1: -4.855 kcal/mol
  • Pose 2: -4.786 kcal/mol
  • Pose 3: -4.78 kcal/mol
  • Pose 4: -4.736 kcal/mol
  • Pose 5: -4.692 kcal/mol
  • Pose 6: -4.644 kcal/mol
  • Pose 7: -4.622 kcal/mol
  • Pose 8: -4.577 kcal/mol
  • Pose 9: -4.57 kcal/mol
CHEMBL434886_dpp4
Energy Plot
RMSD Scatter Plot