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

Docking Result

CHEMBL3806003_dpp4

Atoms: 270
Models: 9
Best Energy: -9.223 kcal/mol

Binding Energies:
  • Pose 1: -9.223 kcal/mol
  • Pose 2: -9.067 kcal/mol
  • Pose 3: -8.511 kcal/mol
  • Pose 4: -8.331 kcal/mol
  • Pose 5: -8.074 kcal/mol
  • Pose 6: -7.954 kcal/mol
  • Pose 7: -7.936 kcal/mol
  • Pose 8: -7.879 kcal/mol
  • Pose 9: -7.821 kcal/mol
CHEMBL3806003_dpp4
Energy Plot
RMSD Scatter Plot