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

Docking Result

CHEMBL1650404_dpp4

Atoms: 208
Models: 8
Best Energy: -7.834 kcal/mol

Binding Energies:
  • Pose 1: -7.834 kcal/mol
  • Pose 2: -7.433 kcal/mol
  • Pose 3: -7.373 kcal/mol
  • Pose 4: -7.302 kcal/mol
  • Pose 5: -7.086 kcal/mol
  • Pose 6: -6.902 kcal/mol
  • Pose 7: -6.87 kcal/mol
  • Pose 8: -6.838 kcal/mol
CHEMBL1650404_dpp4
Energy Plot
RMSD Scatter Plot