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

Docking Result

CHEMBL3644465_dpp4

Atoms: 234
Models: 9
Best Energy: -7.433 kcal/mol

Binding Energies:
  • Pose 1: -7.433 kcal/mol
  • Pose 2: -7.383 kcal/mol
  • Pose 3: -7.052 kcal/mol
  • Pose 4: -7.029 kcal/mol
  • Pose 5: -6.893 kcal/mol
  • Pose 6: -6.713 kcal/mol
  • Pose 7: -6.617 kcal/mol
  • Pose 8: -6.495 kcal/mol
  • Pose 9: -6.462 kcal/mol
CHEMBL3644465_dpp4
Energy Plot
RMSD Scatter Plot