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

Docking Result

CHEMBL5266321_dpp4

Atoms: 225
Models: 9
Best Energy: -7.101 kcal/mol

Binding Energies:
  • Pose 1: -7.101 kcal/mol
  • Pose 2: -7.033 kcal/mol
  • Pose 3: -6.888 kcal/mol
  • Pose 4: -6.875 kcal/mol
  • Pose 5: -6.851 kcal/mol
  • Pose 6: -6.78 kcal/mol
  • Pose 7: -6.728 kcal/mol
  • Pose 8: -6.644 kcal/mol
  • Pose 9: -6.614 kcal/mol
CHEMBL5266321_dpp4
Energy Plot
RMSD Scatter Plot