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

Docking Result

CHEMBL404210_dpp4

Atoms: 324
Models: 9
Best Energy: -8.761 kcal/mol

Binding Energies:
  • Pose 1: -8.761 kcal/mol
  • Pose 2: -8.533 kcal/mol
  • Pose 3: -8.511 kcal/mol
  • Pose 4: -8.455 kcal/mol
  • Pose 5: -8.334 kcal/mol
  • Pose 6: -8.233 kcal/mol
  • Pose 7: -8.183 kcal/mol
  • Pose 8: -8.09 kcal/mol
  • Pose 9: -8.081 kcal/mol
CHEMBL404210_dpp4
Energy Plot
RMSD Scatter Plot