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

Docking Result

CHEMBL3357780_dpp4

Atoms: 351
Models: 9
Best Energy: -9.374 kcal/mol

Binding Energies:
  • Pose 1: -9.374 kcal/mol
  • Pose 2: -9.153 kcal/mol
  • Pose 3: -9.126 kcal/mol
  • Pose 4: -9.037 kcal/mol
  • Pose 5: -9.023 kcal/mol
  • Pose 6: -8.838 kcal/mol
  • Pose 7: -8.774 kcal/mol
  • Pose 8: -8.557 kcal/mol
  • Pose 9: -8.411 kcal/mol
CHEMBL3357780_dpp4
Energy Plot
RMSD Scatter Plot