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

Docking Result

CHEMBL5756218_dpp4

Atoms: 396
Models: 9
Best Energy: -9.866 kcal/mol

Binding Energies:
  • Pose 1: -9.866 kcal/mol
  • Pose 2: -9.774 kcal/mol
  • Pose 3: -9.609 kcal/mol
  • Pose 4: -9.383 kcal/mol
  • Pose 5: -9.33 kcal/mol
  • Pose 6: -9.16 kcal/mol
  • Pose 7: -9.149 kcal/mol
  • Pose 8: -8.951 kcal/mol
  • Pose 9: -8.738 kcal/mol
CHEMBL5756218_dpp4
Energy Plot
RMSD Scatter Plot