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

Docking Result

CHEMBL17347_dpp4

Atoms: 153
Models: 9
Best Energy: -5.781 kcal/mol

Binding Energies:
  • Pose 1: -5.781 kcal/mol
  • Pose 2: -5.713 kcal/mol
  • Pose 3: -5.687 kcal/mol
  • Pose 4: -5.675 kcal/mol
  • Pose 5: -5.669 kcal/mol
  • Pose 6: -5.58 kcal/mol
  • Pose 7: -5.564 kcal/mol
  • Pose 8: -5.47 kcal/mol
  • Pose 9: -5.417 kcal/mol
CHEMBL17347_dpp4
Energy Plot
RMSD Scatter Plot