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

Docking Result

CHEMBL177696_dpp4

Atoms: 153
Models: 9
Best Energy: -6.698 kcal/mol

Binding Energies:
  • Pose 1: -6.698 kcal/mol
  • Pose 2: -6.271 kcal/mol
  • Pose 3: -6.189 kcal/mol
  • Pose 4: -5.951 kcal/mol
  • Pose 5: -5.844 kcal/mol
  • Pose 6: -5.805 kcal/mol
  • Pose 7: -5.663 kcal/mol
  • Pose 8: -5.582 kcal/mol
  • Pose 9: -5.576 kcal/mol
CHEMBL177696_dpp4
Energy Plot
RMSD Scatter Plot