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

Docking Result

CHEMBL5921279_dpp4

Atoms: 306
Models: 9
Best Energy: -9.64 kcal/mol

Binding Energies:
  • Pose 1: -9.64 kcal/mol
  • Pose 2: -9.361 kcal/mol
  • Pose 3: -9.307 kcal/mol
  • Pose 4: -9.178 kcal/mol
  • Pose 5: -9.005 kcal/mol
  • Pose 6: -8.904 kcal/mol
  • Pose 7: -8.9 kcal/mol
  • Pose 8: -8.897 kcal/mol
  • Pose 9: -8.872 kcal/mol
CHEMBL5921279_dpp4
Energy Plot
RMSD Scatter Plot