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

Docking Result

CHEMBL2022528_dpp4

Atoms: 225
Models: 9
Best Energy: -8.143 kcal/mol

Binding Energies:
  • Pose 1: -8.143 kcal/mol
  • Pose 2: -7.993 kcal/mol
  • Pose 3: -7.763 kcal/mol
  • Pose 4: -7.747 kcal/mol
  • Pose 5: -7.516 kcal/mol
  • Pose 6: -7.399 kcal/mol
  • Pose 7: -7.365 kcal/mol
  • Pose 8: -7.351 kcal/mol
  • Pose 9: -7.342 kcal/mol
CHEMBL2022528_dpp4
Energy Plot
RMSD Scatter Plot