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

Docking Result

CHEMBL2069848_dpp4

Atoms: 315
Models: 9
Best Energy: -9.266 kcal/mol

Binding Energies:
  • Pose 1: -9.266 kcal/mol
  • Pose 2: -9.019 kcal/mol
  • Pose 3: -8.867 kcal/mol
  • Pose 4: -8.797 kcal/mol
  • Pose 5: -8.71 kcal/mol
  • Pose 6: -8.62 kcal/mol
  • Pose 7: -8.585 kcal/mol
  • Pose 8: -8.516 kcal/mol
  • Pose 9: -8.475 kcal/mol
CHEMBL2069848_dpp4
Energy Plot
RMSD Scatter Plot