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

Docking Result

CHEMBL3233540_dpp4

Atoms: 225
Models: 9
Best Energy: -7.899 kcal/mol

Binding Energies:
  • Pose 1: -7.899 kcal/mol
  • Pose 2: -7.868 kcal/mol
  • Pose 3: -7.796 kcal/mol
  • Pose 4: -7.733 kcal/mol
  • Pose 5: -7.632 kcal/mol
  • Pose 6: -7.625 kcal/mol
  • Pose 7: -7.542 kcal/mol
  • Pose 8: -7.539 kcal/mol
  • Pose 9: -7.427 kcal/mol
CHEMBL3233540_dpp4
Energy Plot
RMSD Scatter Plot