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

Docking Result

CHEMBL3644800_dpp4

Atoms: 342
Models: 9
Best Energy: -8.792 kcal/mol

Binding Energies:
  • Pose 1: -8.792 kcal/mol
  • Pose 2: -8.569 kcal/mol
  • Pose 3: -8.507 kcal/mol
  • Pose 4: -8.317 kcal/mol
  • Pose 5: -8.27 kcal/mol
  • Pose 6: -8.109 kcal/mol
  • Pose 7: -8.008 kcal/mol
  • Pose 8: -7.976 kcal/mol
  • Pose 9: -7.851 kcal/mol
CHEMBL3644800_dpp4
Energy Plot
RMSD Scatter Plot