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

Docking Result

CHEMBL401709_dpp4

Atoms: 306
Models: 9
Best Energy: -8.795 kcal/mol

Binding Energies:
  • Pose 1: -8.795 kcal/mol
  • Pose 2: -8.636 kcal/mol
  • Pose 3: -8.598 kcal/mol
  • Pose 4: -8.452 kcal/mol
  • Pose 5: -8.434 kcal/mol
  • Pose 6: -8.399 kcal/mol
  • Pose 7: -8.398 kcal/mol
  • Pose 8: -8.271 kcal/mol
  • Pose 9: -8.26 kcal/mol
CHEMBL401709_dpp4
Energy Plot
RMSD Scatter Plot