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

Docking Result

CHEMBL3580782_dpp4

Atoms: 306
Models: 9
Best Energy: -7.722 kcal/mol

Binding Energies:
  • Pose 1: -7.722 kcal/mol
  • Pose 2: -7.47 kcal/mol
  • Pose 3: -7.234 kcal/mol
  • Pose 4: -7.135 kcal/mol
  • Pose 5: -6.813 kcal/mol
  • Pose 6: -6.77 kcal/mol
  • Pose 7: -6.711 kcal/mol
  • Pose 8: -6.56 kcal/mol
  • Pose 9: -6.396 kcal/mol
CHEMBL3580782_dpp4
Energy Plot
RMSD Scatter Plot