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

Docking Result

CHEMBL378750_dpp4

Atoms: 234
Models: 9
Best Energy: -6.992 kcal/mol

Binding Energies:
  • Pose 1: -6.992 kcal/mol
  • Pose 2: -6.973 kcal/mol
  • Pose 3: -6.926 kcal/mol
  • Pose 4: -6.909 kcal/mol
  • Pose 5: -6.869 kcal/mol
  • Pose 6: -6.797 kcal/mol
  • Pose 7: -6.742 kcal/mol
  • Pose 8: -6.72 kcal/mol
  • Pose 9: -6.681 kcal/mol
CHEMBL378750_dpp4
Energy Plot
RMSD Scatter Plot