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

Docking Result

CHEMBL251958_dpp4

Atoms: 216
Models: 9
Best Energy: -6.994 kcal/mol

Binding Energies:
  • Pose 1: -6.994 kcal/mol
  • Pose 2: -6.949 kcal/mol
  • Pose 3: -6.922 kcal/mol
  • Pose 4: -6.767 kcal/mol
  • Pose 5: -6.762 kcal/mol
  • Pose 6: -6.758 kcal/mol
  • Pose 7: -6.696 kcal/mol
  • Pose 8: -6.599 kcal/mol
  • Pose 9: -6.252 kcal/mol
CHEMBL251958_dpp4
Energy Plot
RMSD Scatter Plot