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

Docking Result

CHEMBL3938789_dpp4

Atoms: 369
Models: 9
Best Energy: -10.276 kcal/mol

Binding Energies:
  • Pose 1: -10.276 kcal/mol
  • Pose 2: -9.539 kcal/mol
  • Pose 3: -9.493 kcal/mol
  • Pose 4: -9.29 kcal/mol
  • Pose 5: -9.244 kcal/mol
  • Pose 6: -9.152 kcal/mol
  • Pose 7: -9.045 kcal/mol
  • Pose 8: -8.963 kcal/mol
  • Pose 9: -8.884 kcal/mol
CHEMBL3938789_dpp4
Energy Plot
RMSD Scatter Plot