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

Docking Result

CHEMBL320143_dpp4

Atoms: 135
Models: 9
Best Energy: -5.129 kcal/mol

Binding Energies:
  • Pose 1: -5.129 kcal/mol
  • Pose 2: -5.072 kcal/mol
  • Pose 3: -5.014 kcal/mol
  • Pose 4: -5.009 kcal/mol
  • Pose 5: -4.997 kcal/mol
  • Pose 6: -4.991 kcal/mol
  • Pose 7: -4.93 kcal/mol
  • Pose 8: -4.925 kcal/mol
  • Pose 9: -4.705 kcal/mol
CHEMBL320143_dpp4
Energy Plot
RMSD Scatter Plot