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

Docking Result

CHEMBL321509_dpp4

Atoms: 189
Models: 9
Best Energy: -6.633 kcal/mol

Binding Energies:
  • Pose 1: -6.633 kcal/mol
  • Pose 2: -6.552 kcal/mol
  • Pose 3: -6.444 kcal/mol
  • Pose 4: -6.422 kcal/mol
  • Pose 5: -6.287 kcal/mol
  • Pose 6: -6.193 kcal/mol
  • Pose 7: -6.183 kcal/mol
  • Pose 8: -6.134 kcal/mol
  • Pose 9: -6.059 kcal/mol
CHEMBL321509_dpp4
Energy Plot
RMSD Scatter Plot