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

Docking Result

CHEMBL4750058_dpp4

Atoms: 342
Models: 9
Best Energy: -10.049 kcal/mol

Binding Energies:
  • Pose 1: -10.049 kcal/mol
  • Pose 2: -9.967 kcal/mol
  • Pose 3: -9.8 kcal/mol
  • Pose 4: -9.705 kcal/mol
  • Pose 5: -9.376 kcal/mol
  • Pose 6: -9.352 kcal/mol
  • Pose 7: -9.325 kcal/mol
  • Pose 8: -9.297 kcal/mol
  • Pose 9: -9.265 kcal/mol
CHEMBL4750058_dpp4
Energy Plot
RMSD Scatter Plot