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

Docking Result

CHEMBL236706_dpp4

Atoms: 270
Models: 9
Best Energy: -9.067 kcal/mol

Binding Energies:
  • Pose 1: -9.067 kcal/mol
  • Pose 2: -8.875 kcal/mol
  • Pose 3: -8.855 kcal/mol
  • Pose 4: -8.746 kcal/mol
  • Pose 5: -8.739 kcal/mol
  • Pose 6: -8.593 kcal/mol
  • Pose 7: -8.462 kcal/mol
  • Pose 8: -8.439 kcal/mol
  • Pose 9: -8.397 kcal/mol
CHEMBL236706_dpp4
Energy Plot
RMSD Scatter Plot