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

Docking Result

CHEMBL275472_dpp4

Atoms: 153
Models: 9
Best Energy: -6.885 kcal/mol

Binding Energies:
  • Pose 1: -6.885 kcal/mol
  • Pose 2: -6.747 kcal/mol
  • Pose 3: -6.609 kcal/mol
  • Pose 4: -6.587 kcal/mol
  • Pose 5: -6.51 kcal/mol
  • Pose 6: -6.249 kcal/mol
  • Pose 7: -6.219 kcal/mol
  • Pose 8: -6.179 kcal/mol
  • Pose 9: -6.001 kcal/mol
CHEMBL275472_dpp4
Energy Plot
RMSD Scatter Plot