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

Docking Result

CHEMBL487681_dpp4

Atoms: 243
Models: 9
Best Energy: -7.519 kcal/mol

Binding Energies:
  • Pose 1: -7.519 kcal/mol
  • Pose 2: -7.294 kcal/mol
  • Pose 3: -6.958 kcal/mol
  • Pose 4: -6.838 kcal/mol
  • Pose 5: -6.816 kcal/mol
  • Pose 6: -6.713 kcal/mol
  • Pose 7: -6.611 kcal/mol
  • Pose 8: -6.436 kcal/mol
  • Pose 9: -6.282 kcal/mol
CHEMBL487681_dpp4
Energy Plot
RMSD Scatter Plot