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

Docking Result

CHEMBL4162971_dpp4

Atoms: 369
Models: 9
Best Energy: -9.071 kcal/mol

Binding Energies:
  • Pose 1: -9.071 kcal/mol
  • Pose 2: -8.627 kcal/mol
  • Pose 3: -8.442 kcal/mol
  • Pose 4: -8.432 kcal/mol
  • Pose 5: -8.258 kcal/mol
  • Pose 6: -8.205 kcal/mol
  • Pose 7: -8.064 kcal/mol
  • Pose 8: -8.048 kcal/mol
  • Pose 9: -8.023 kcal/mol
CHEMBL4162971_dpp4
Energy Plot
RMSD Scatter Plot