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

Docking Result

CHEMBL3233541_dpp4

Atoms: 234
Models: 9
Best Energy: -8.08 kcal/mol

Binding Energies:
  • Pose 1: -8.08 kcal/mol
  • Pose 2: -7.988 kcal/mol
  • Pose 3: -7.904 kcal/mol
  • Pose 4: -7.808 kcal/mol
  • Pose 5: -7.786 kcal/mol
  • Pose 6: -7.517 kcal/mol
  • Pose 7: -7.362 kcal/mol
  • Pose 8: -7.362 kcal/mol
  • Pose 9: -7.336 kcal/mol
CHEMBL3233541_dpp4
Energy Plot
RMSD Scatter Plot