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

Docking Result

CHEMBL2178977_dpp4

Atoms: 225
Models: 9
Best Energy: -7.455 kcal/mol

Binding Energies:
  • Pose 1: -7.455 kcal/mol
  • Pose 2: -7.151 kcal/mol
  • Pose 3: -7.143 kcal/mol
  • Pose 4: -7.129 kcal/mol
  • Pose 5: -6.898 kcal/mol
  • Pose 6: -6.795 kcal/mol
  • Pose 7: -6.713 kcal/mol
  • Pose 8: -6.55 kcal/mol
  • Pose 9: -6.468 kcal/mol
CHEMBL2178977_dpp4
Energy Plot
RMSD Scatter Plot