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

Docking Result

CHEMBL5566659_dpp4

Atoms: 324
Models: 9
Best Energy: -8.735 kcal/mol

Binding Energies:
  • Pose 1: -8.735 kcal/mol
  • Pose 2: -8.582 kcal/mol
  • Pose 3: -8.271 kcal/mol
  • Pose 4: -7.904 kcal/mol
  • Pose 5: -7.787 kcal/mol
  • Pose 6: -7.744 kcal/mol
  • Pose 7: -7.734 kcal/mol
  • Pose 8: -7.698 kcal/mol
  • Pose 9: -7.57 kcal/mol
CHEMBL5566659_dpp4
Energy Plot
RMSD Scatter Plot