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

Docking Result

CHEMBL4466627_dpp4

Atoms: 198
Models: 9
Best Energy: -6.54 kcal/mol

Binding Energies:
  • Pose 1: -6.54 kcal/mol
  • Pose 2: -6.172 kcal/mol
  • Pose 3: -6.081 kcal/mol
  • Pose 4: -5.956 kcal/mol
  • Pose 5: -5.907 kcal/mol
  • Pose 6: -5.905 kcal/mol
  • Pose 7: -5.888 kcal/mol
  • Pose 8: -5.873 kcal/mol
  • Pose 9: -5.856 kcal/mol
CHEMBL4466627_dpp4
Energy Plot
RMSD Scatter Plot