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

Docking Result

CHEMBL2022525_dpp4

Atoms: 207
Models: 9
Best Energy: -7.773 kcal/mol

Binding Energies:
  • Pose 1: -7.773 kcal/mol
  • Pose 2: -7.769 kcal/mol
  • Pose 3: -7.692 kcal/mol
  • Pose 4: -7.593 kcal/mol
  • Pose 5: -7.388 kcal/mol
  • Pose 6: -7.263 kcal/mol
  • Pose 7: -7.231 kcal/mol
  • Pose 8: -7.126 kcal/mol
  • Pose 9: -7.028 kcal/mol
CHEMBL2022525_dpp4
Energy Plot
RMSD Scatter Plot