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

Docking Result

CHEMBL3233848_dpp4

Atoms: 234
Models: 9
Best Energy: -7.834 kcal/mol

Binding Energies:
  • Pose 1: -7.834 kcal/mol
  • Pose 2: -7.722 kcal/mol
  • Pose 3: -7.715 kcal/mol
  • Pose 4: -7.646 kcal/mol
  • Pose 5: -7.466 kcal/mol
  • Pose 6: -7.421 kcal/mol
  • Pose 7: -7.383 kcal/mol
  • Pose 8: -7.341 kcal/mol
  • Pose 9: -7.225 kcal/mol
CHEMBL3233848_dpp4
Energy Plot
RMSD Scatter Plot