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

Docking Result

CHEMBL3650438_dpp4

Atoms: 369
Models: 9
Best Energy: -9.29 kcal/mol

Binding Energies:
  • Pose 1: -9.29 kcal/mol
  • Pose 2: -9.164 kcal/mol
  • Pose 3: -8.885 kcal/mol
  • Pose 4: -8.813 kcal/mol
  • Pose 5: -8.737 kcal/mol
  • Pose 6: -8.679 kcal/mol
  • Pose 7: -8.675 kcal/mol
  • Pose 8: -8.511 kcal/mol
  • Pose 9: -8.367 kcal/mol
CHEMBL3650438_dpp4
Energy Plot
RMSD Scatter Plot