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

Docking Result

CHEMBL403160_dpp4

Atoms: 225
Models: 9
Best Energy: -8.18 kcal/mol

Binding Energies:
  • Pose 1: -8.18 kcal/mol
  • Pose 2: -7.956 kcal/mol
  • Pose 3: -7.946 kcal/mol
  • Pose 4: -7.844 kcal/mol
  • Pose 5: -7.733 kcal/mol
  • Pose 6: -7.579 kcal/mol
  • Pose 7: -7.478 kcal/mol
  • Pose 8: -7.44 kcal/mol
  • Pose 9: -7.311 kcal/mol
CHEMBL403160_dpp4
Energy Plot
RMSD Scatter Plot