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

Docking Result

CHEMBL3697940_dpp4

Atoms: 297
Models: 9
Best Energy: -7.271 kcal/mol

Binding Energies:
  • Pose 1: -7.271 kcal/mol
  • Pose 2: -7.085 kcal/mol
  • Pose 3: -6.763 kcal/mol
  • Pose 4: -6.753 kcal/mol
  • Pose 5: -6.692 kcal/mol
  • Pose 6: -6.674 kcal/mol
  • Pose 7: -6.663 kcal/mol
  • Pose 8: -6.564 kcal/mol
  • Pose 9: -6.519 kcal/mol
CHEMBL3697940_dpp4
Energy Plot
RMSD Scatter Plot