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

Docking Result

CHEMBL1683144_dpp4

Atoms: 261
Models: 9
Best Energy: -8.424 kcal/mol

Binding Energies:
  • Pose 1: -8.424 kcal/mol
  • Pose 2: -8.176 kcal/mol
  • Pose 3: -7.993 kcal/mol
  • Pose 4: -7.885 kcal/mol
  • Pose 5: -7.864 kcal/mol
  • Pose 6: -7.774 kcal/mol
  • Pose 7: -7.705 kcal/mol
  • Pose 8: -7.705 kcal/mol
  • Pose 9: -7.437 kcal/mol
CHEMBL1683144_dpp4
Energy Plot
RMSD Scatter Plot