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

Docking Result

CHEMBL231698_dpp4

Atoms: 225
Models: 9
Best Energy: -7.078 kcal/mol

Binding Energies:
  • Pose 1: -7.078 kcal/mol
  • Pose 2: -6.792 kcal/mol
  • Pose 3: -6.567 kcal/mol
  • Pose 4: -6.528 kcal/mol
  • Pose 5: -6.477 kcal/mol
  • Pose 6: -6.423 kcal/mol
  • Pose 7: -6.311 kcal/mol
  • Pose 8: -6.22 kcal/mol
  • Pose 9: -6.022 kcal/mol
CHEMBL231698_dpp4
Energy Plot
RMSD Scatter Plot