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

Docking Result

CHEMBL97180_dpp4

Atoms: 171
Models: 9
Best Energy: -5.947 kcal/mol

Binding Energies:
  • Pose 1: -5.947 kcal/mol
  • Pose 2: -5.878 kcal/mol
  • Pose 3: -5.828 kcal/mol
  • Pose 4: -5.749 kcal/mol
  • Pose 5: -5.742 kcal/mol
  • Pose 6: -5.7 kcal/mol
  • Pose 7: -5.636 kcal/mol
  • Pose 8: -5.606 kcal/mol
  • Pose 9: -5.562 kcal/mol
CHEMBL97180_dpp4
Energy Plot
RMSD Scatter Plot