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

Docking Result

CHEMBL3093904_dpp4

Atoms: 198
Models: 9
Best Energy: -7.388 kcal/mol

Binding Energies:
  • Pose 1: -7.388 kcal/mol
  • Pose 2: -7.184 kcal/mol
  • Pose 3: -7.103 kcal/mol
  • Pose 4: -7.085 kcal/mol
  • Pose 5: -7.043 kcal/mol
  • Pose 6: -7.028 kcal/mol
  • Pose 7: -6.868 kcal/mol
  • Pose 8: -6.85 kcal/mol
  • Pose 9: -6.825 kcal/mol
CHEMBL3093904_dpp4
Energy Plot
RMSD Scatter Plot