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

Docking Result

CHEMBL4173673_dpp4

Atoms: 369
Models: 9
Best Energy: -9.648 kcal/mol

Binding Energies:
  • Pose 1: -9.648 kcal/mol
  • Pose 2: -9.242 kcal/mol
  • Pose 3: -9.086 kcal/mol
  • Pose 4: -9.053 kcal/mol
  • Pose 5: -8.855 kcal/mol
  • Pose 6: -8.833 kcal/mol
  • Pose 7: -8.781 kcal/mol
  • Pose 8: -8.659 kcal/mol
  • Pose 9: -8.598 kcal/mol
CHEMBL4173673_dpp4
Energy Plot
RMSD Scatter Plot