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

Docking Result

CHEMBL100370_dpp4

Atoms: 216
Models: 9
Best Energy: -7.15 kcal/mol

Binding Energies:
  • Pose 1: -7.15 kcal/mol
  • Pose 2: -6.956 kcal/mol
  • Pose 3: -6.914 kcal/mol
  • Pose 4: -6.69 kcal/mol
  • Pose 5: -6.629 kcal/mol
  • Pose 6: -6.61 kcal/mol
  • Pose 7: -6.609 kcal/mol
  • Pose 8: -6.463 kcal/mol
  • Pose 9: -6.417 kcal/mol
CHEMBL100370_dpp4
Energy Plot
RMSD Scatter Plot