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

Docking Result

CHEMBL2425889_dpp4

Atoms: 297
Models: 9
Best Energy: -8.174 kcal/mol

Binding Energies:
  • Pose 1: -8.174 kcal/mol
  • Pose 2: -7.988 kcal/mol
  • Pose 3: -7.888 kcal/mol
  • Pose 4: -7.743 kcal/mol
  • Pose 5: -7.718 kcal/mol
  • Pose 6: -7.696 kcal/mol
  • Pose 7: -7.682 kcal/mol
  • Pose 8: -7.558 kcal/mol
  • Pose 9: -7.542 kcal/mol
CHEMBL2425889_dpp4
Energy Plot
RMSD Scatter Plot