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

Docking Result

CHEMBL399121_dpp4

Atoms: 225
Models: 9
Best Energy: -7.723 kcal/mol

Binding Energies:
  • Pose 1: -7.723 kcal/mol
  • Pose 2: -7.696 kcal/mol
  • Pose 3: -7.666 kcal/mol
  • Pose 4: -7.597 kcal/mol
  • Pose 5: -7.338 kcal/mol
  • Pose 6: -7.304 kcal/mol
  • Pose 7: -7.081 kcal/mol
  • Pose 8: -6.923 kcal/mol
  • Pose 9: -6.823 kcal/mol
CHEMBL399121_dpp4
Energy Plot
RMSD Scatter Plot