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

Docking Result

CHEMBL6150022_dpp4

Atoms: 342
Models: 9
Best Energy: -10.531 kcal/mol

Binding Energies:
  • Pose 1: -10.531 kcal/mol
  • Pose 2: -9.324 kcal/mol
  • Pose 3: -9.098 kcal/mol
  • Pose 4: -9.014 kcal/mol
  • Pose 5: -8.934 kcal/mol
  • Pose 6: -8.876 kcal/mol
  • Pose 7: -8.71 kcal/mol
  • Pose 8: -8.659 kcal/mol
  • Pose 9: -8.623 kcal/mol
CHEMBL6150022_dpp4
Energy Plot
RMSD Scatter Plot