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

Docking Result

CHEMBL201695_dpp4

Atoms: 243
Models: 9
Best Energy: -7.337 kcal/mol

Binding Energies:
  • Pose 1: -7.337 kcal/mol
  • Pose 2: -7.271 kcal/mol
  • Pose 3: -6.965 kcal/mol
  • Pose 4: -6.876 kcal/mol
  • Pose 5: -6.853 kcal/mol
  • Pose 6: -6.844 kcal/mol
  • Pose 7: -6.808 kcal/mol
  • Pose 8: -6.8 kcal/mol
  • Pose 9: -6.723 kcal/mol
CHEMBL201695_dpp4
Energy Plot
RMSD Scatter Plot