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

Docking Result

CHEMBL1779713_dpp4

Atoms: 288
Models: 9
Best Energy: -7.572 kcal/mol

Binding Energies:
  • Pose 1: -7.572 kcal/mol
  • Pose 2: -7.348 kcal/mol
  • Pose 3: -7.331 kcal/mol
  • Pose 4: -7.287 kcal/mol
  • Pose 5: -7.222 kcal/mol
  • Pose 6: -7.093 kcal/mol
  • Pose 7: -6.966 kcal/mol
  • Pose 8: -6.95 kcal/mol
  • Pose 9: -6.947 kcal/mol
CHEMBL1779713_dpp4
Energy Plot
RMSD Scatter Plot