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

Docking Result

CHEMBL473418_dpp4

Atoms: 225
Models: 9
Best Energy: -7.131 kcal/mol

Binding Energies:
  • Pose 1: -7.131 kcal/mol
  • Pose 2: -7.07 kcal/mol
  • Pose 3: -7.037 kcal/mol
  • Pose 4: -6.999 kcal/mol
  • Pose 5: -6.899 kcal/mol
  • Pose 6: -6.893 kcal/mol
  • Pose 7: -6.83 kcal/mol
  • Pose 8: -6.776 kcal/mol
  • Pose 9: -6.736 kcal/mol
CHEMBL473418_dpp4
Energy Plot
RMSD Scatter Plot