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

Docking Result

CHEMBL365113_dpp4

Atoms: 225
Models: 9
Best Energy: -6.919 kcal/mol

Binding Energies:
  • Pose 1: -6.919 kcal/mol
  • Pose 2: -6.819 kcal/mol
  • Pose 3: -6.801 kcal/mol
  • Pose 4: -6.679 kcal/mol
  • Pose 5: -6.596 kcal/mol
  • Pose 6: -6.543 kcal/mol
  • Pose 7: -6.517 kcal/mol
  • Pose 8: -6.429 kcal/mol
  • Pose 9: -6.356 kcal/mol
CHEMBL365113_dpp4
Energy Plot
RMSD Scatter Plot