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

Docking Result

CHEMBL1083032_dpp4

Atoms: 225
Models: 9
Best Energy: -7.149 kcal/mol

Binding Energies:
  • Pose 1: -7.149 kcal/mol
  • Pose 2: -7.084 kcal/mol
  • Pose 3: -7.036 kcal/mol
  • Pose 4: -7.027 kcal/mol
  • Pose 5: -6.828 kcal/mol
  • Pose 6: -6.768 kcal/mol
  • Pose 7: -6.705 kcal/mol
  • Pose 8: -6.593 kcal/mol
  • Pose 9: -6.553 kcal/mol
CHEMBL1083032_dpp4
Energy Plot
RMSD Scatter Plot