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

Docking Result

CHEMBL3357775_dpp4

Atoms: 288
Models: 9
Best Energy: -8.652 kcal/mol

Binding Energies:
  • Pose 1: -8.652 kcal/mol
  • Pose 2: -8.121 kcal/mol
  • Pose 3: -8.035 kcal/mol
  • Pose 4: -7.965 kcal/mol
  • Pose 5: -7.772 kcal/mol
  • Pose 6: -7.772 kcal/mol
  • Pose 7: -7.767 kcal/mol
  • Pose 8: -7.642 kcal/mol
  • Pose 9: -7.599 kcal/mol
CHEMBL3357775_dpp4
Energy Plot
RMSD Scatter Plot