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

Docking Result

CHEMBL3233834_dpp4

Atoms: 225
Models: 9
Best Energy: -8.309 kcal/mol

Binding Energies:
  • Pose 1: -8.309 kcal/mol
  • Pose 2: -8.099 kcal/mol
  • Pose 3: -8.015 kcal/mol
  • Pose 4: -7.971 kcal/mol
  • Pose 5: -7.894 kcal/mol
  • Pose 6: -7.846 kcal/mol
  • Pose 7: -7.696 kcal/mol
  • Pose 8: -7.661 kcal/mol
  • Pose 9: -7.583 kcal/mol
CHEMBL3233834_dpp4
Energy Plot
RMSD Scatter Plot