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

Docking Result

CHEMBL3236104_dpp4

Atoms: 243
Models: 9
Best Energy: -7.726 kcal/mol

Binding Energies:
  • Pose 1: -7.726 kcal/mol
  • Pose 2: -7.695 kcal/mol
  • Pose 3: -7.444 kcal/mol
  • Pose 4: -7.399 kcal/mol
  • Pose 5: -7.263 kcal/mol
  • Pose 6: -7.078 kcal/mol
  • Pose 7: -6.963 kcal/mol
  • Pose 8: -6.893 kcal/mol
  • Pose 9: -6.81 kcal/mol
CHEMBL3236104_dpp4
Energy Plot
RMSD Scatter Plot