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

Docking Result

CHEMBL598755_dpp4

Atoms: 252
Models: 9
Best Energy: -7.621 kcal/mol

Binding Energies:
  • Pose 1: -7.621 kcal/mol
  • Pose 2: -7.59 kcal/mol
  • Pose 3: -7.126 kcal/mol
  • Pose 4: -7.096 kcal/mol
  • Pose 5: -6.959 kcal/mol
  • Pose 6: -6.771 kcal/mol
  • Pose 7: -6.728 kcal/mol
  • Pose 8: -6.718 kcal/mol
  • Pose 9: -6.662 kcal/mol
CHEMBL598755_dpp4
Energy Plot
RMSD Scatter Plot