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

Docking Result

CHEMBL256121_dpp4

Atoms: 324
Models: 9
Best Energy: -8.969 kcal/mol

Binding Energies:
  • Pose 1: -8.969 kcal/mol
  • Pose 2: -8.702 kcal/mol
  • Pose 3: -8.387 kcal/mol
  • Pose 4: -8.009 kcal/mol
  • Pose 5: -7.986 kcal/mol
  • Pose 6: -7.893 kcal/mol
  • Pose 7: -7.855 kcal/mol
  • Pose 8: -7.788 kcal/mol
  • Pose 9: -7.735 kcal/mol
CHEMBL256121_dpp4
Energy Plot
RMSD Scatter Plot