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

Docking Result

CHEMBL144027_dpp4

Atoms: 180
Models: 9
Best Energy: -5.581 kcal/mol

Binding Energies:
  • Pose 1: -5.581 kcal/mol
  • Pose 2: -5.208 kcal/mol
  • Pose 3: -5.181 kcal/mol
  • Pose 4: -5.179 kcal/mol
  • Pose 5: -5.097 kcal/mol
  • Pose 6: -5.028 kcal/mol
  • Pose 7: -4.889 kcal/mol
  • Pose 8: -4.832 kcal/mol
  • Pose 9: -4.781 kcal/mol
CHEMBL144027_dpp4
Energy Plot
RMSD Scatter Plot