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

Docking Result

CHEMBL3675633_dpp4

Atoms: 369
Models: 9
Best Energy: -9.289 kcal/mol

Binding Energies:
  • Pose 1: -9.289 kcal/mol
  • Pose 2: -9.007 kcal/mol
  • Pose 3: -8.902 kcal/mol
  • Pose 4: -8.814 kcal/mol
  • Pose 5: -8.798 kcal/mol
  • Pose 6: -8.546 kcal/mol
  • Pose 7: -8.517 kcal/mol
  • Pose 8: -8.309 kcal/mol
  • Pose 9: -8.189 kcal/mol
CHEMBL3675633_dpp4
Energy Plot
RMSD Scatter Plot