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

Docking Result

CHEMBL237547_dpp4

Atoms: 225
Models: 9
Best Energy: -7.144 kcal/mol

Binding Energies:
  • Pose 1: -7.144 kcal/mol
  • Pose 2: -6.868 kcal/mol
  • Pose 3: -6.811 kcal/mol
  • Pose 4: -6.661 kcal/mol
  • Pose 5: -6.613 kcal/mol
  • Pose 6: -6.557 kcal/mol
  • Pose 7: -6.501 kcal/mol
  • Pose 8: -6.495 kcal/mol
  • Pose 9: -6.458 kcal/mol
CHEMBL237547_dpp4
Energy Plot
RMSD Scatter Plot