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

Docking Result

CHEMBL1683134_dpp4

Atoms: 243
Models: 9
Best Energy: -8.906 kcal/mol

Binding Energies:
  • Pose 1: -8.906 kcal/mol
  • Pose 2: -8.753 kcal/mol
  • Pose 3: -8.579 kcal/mol
  • Pose 4: -8.002 kcal/mol
  • Pose 5: -7.935 kcal/mol
  • Pose 6: -7.765 kcal/mol
  • Pose 7: -7.688 kcal/mol
  • Pose 8: -7.675 kcal/mol
  • Pose 9: -7.55 kcal/mol
CHEMBL1683134_dpp4
Energy Plot
RMSD Scatter Plot