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

Docking Result

CHEMBL390512_dpp4

Atoms: 207
Models: 9
Best Energy: -7.085 kcal/mol

Binding Energies:
  • Pose 1: -7.085 kcal/mol
  • Pose 2: -7.035 kcal/mol
  • Pose 3: -6.84 kcal/mol
  • Pose 4: -6.755 kcal/mol
  • Pose 5: -6.73 kcal/mol
  • Pose 6: -6.73 kcal/mol
  • Pose 7: -6.695 kcal/mol
  • Pose 8: -6.596 kcal/mol
  • Pose 9: -6.588 kcal/mol
CHEMBL390512_dpp4
Energy Plot
RMSD Scatter Plot