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

Docking Result

CHEMBL379522_dpp4

Atoms: 198
Models: 9
Best Energy: -7.099 kcal/mol

Binding Energies:
  • Pose 1: -7.099 kcal/mol
  • Pose 2: -6.705 kcal/mol
  • Pose 3: -6.558 kcal/mol
  • Pose 4: -6.514 kcal/mol
  • Pose 5: -6.495 kcal/mol
  • Pose 6: -6.407 kcal/mol
  • Pose 7: -6.397 kcal/mol
  • Pose 8: -6.344 kcal/mol
  • Pose 9: -6.324 kcal/mol
CHEMBL379522_dpp4
Energy Plot
RMSD Scatter Plot