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

Docking Result

CHEMBL3220151_dpp4

Atoms: 180
Models: 9
Best Energy: -7.462 kcal/mol

Binding Energies:
  • Pose 1: -7.462 kcal/mol
  • Pose 2: -7.421 kcal/mol
  • Pose 3: -7.405 kcal/mol
  • Pose 4: -7.219 kcal/mol
  • Pose 5: -7.154 kcal/mol
  • Pose 6: -6.983 kcal/mol
  • Pose 7: -6.828 kcal/mol
  • Pose 8: -6.804 kcal/mol
  • Pose 9: -6.8 kcal/mol
CHEMBL3220151_dpp4
Energy Plot
RMSD Scatter Plot