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

Docking Result

CHEMBL488226_dpp4

Atoms: 198
Models: 9
Best Energy: -7.031 kcal/mol

Binding Energies:
  • Pose 1: -7.031 kcal/mol
  • Pose 2: -6.045 kcal/mol
  • Pose 3: -6.03 kcal/mol
  • Pose 4: -5.851 kcal/mol
  • Pose 5: -5.807 kcal/mol
  • Pose 6: -5.794 kcal/mol
  • Pose 7: -5.693 kcal/mol
  • Pose 8: -5.689 kcal/mol
  • Pose 9: -5.647 kcal/mol
CHEMBL488226_dpp4
Energy Plot
RMSD Scatter Plot