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

Docking Result

CHEMBL3618134_dpp4

Atoms: 234
Models: 9
Best Energy: -8.352 kcal/mol

Binding Energies:
  • Pose 1: -8.352 kcal/mol
  • Pose 2: -7.842 kcal/mol
  • Pose 3: -7.703 kcal/mol
  • Pose 4: -7.527 kcal/mol
  • Pose 5: -7.468 kcal/mol
  • Pose 6: -6.953 kcal/mol
  • Pose 7: -6.885 kcal/mol
  • Pose 8: -6.738 kcal/mol
  • Pose 9: -6.654 kcal/mol
CHEMBL3618134_dpp4
Energy Plot
RMSD Scatter Plot