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

Docking Result

CHEMBL475586_dpp4

Atoms: 270
Models: 9
Best Energy: -9.153 kcal/mol

Binding Energies:
  • Pose 1: -9.153 kcal/mol
  • Pose 2: -8.658 kcal/mol
  • Pose 3: -8.386 kcal/mol
  • Pose 4: -8.098 kcal/mol
  • Pose 5: -8.083 kcal/mol
  • Pose 6: -8.079 kcal/mol
  • Pose 7: -8.012 kcal/mol
  • Pose 8: -7.989 kcal/mol
  • Pose 9: -7.892 kcal/mol
CHEMBL475586_dpp4
Energy Plot
RMSD Scatter Plot