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

Docking Result

CHEMBL3330057_dpp4

Atoms: 216
Models: 9
Best Energy: -6.809 kcal/mol

Binding Energies:
  • Pose 1: -6.809 kcal/mol
  • Pose 2: -6.61 kcal/mol
  • Pose 3: -6.585 kcal/mol
  • Pose 4: -6.583 kcal/mol
  • Pose 5: -6.577 kcal/mol
  • Pose 6: -6.477 kcal/mol
  • Pose 7: -6.423 kcal/mol
  • Pose 8: -6.39 kcal/mol
  • Pose 9: -6.288 kcal/mol
CHEMBL3330057_dpp4
Energy Plot
RMSD Scatter Plot