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

Docking Result

CHEMBL5869718_dpp4

Atoms: 306
Models: 9
Best Energy: -9.168 kcal/mol

Binding Energies:
  • Pose 1: -9.168 kcal/mol
  • Pose 2: -8.661 kcal/mol
  • Pose 3: -8.509 kcal/mol
  • Pose 4: -8.395 kcal/mol
  • Pose 5: -8.387 kcal/mol
  • Pose 6: -8.181 kcal/mol
  • Pose 7: -8.13 kcal/mol
  • Pose 8: -8.004 kcal/mol
  • Pose 9: -8.004 kcal/mol
CHEMBL5869718_dpp4
Energy Plot
RMSD Scatter Plot