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

Docking Result

CHEMBL5274129_dpp4

Atoms: 306
Models: 9
Best Energy: -9.259 kcal/mol

Binding Energies:
  • Pose 1: -9.259 kcal/mol
  • Pose 2: -9.225 kcal/mol
  • Pose 3: -9.083 kcal/mol
  • Pose 4: -9.015 kcal/mol
  • Pose 5: -8.876 kcal/mol
  • Pose 6: -8.826 kcal/mol
  • Pose 7: -8.796 kcal/mol
  • Pose 8: -8.789 kcal/mol
  • Pose 9: -8.453 kcal/mol
CHEMBL5274129_dpp4
Energy Plot
RMSD Scatter Plot