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

Docking Result

CHEMBL237783_dpp4

Atoms: 306
Models: 9
Best Energy: -8.109 kcal/mol

Binding Energies:
  • Pose 1: -8.109 kcal/mol
  • Pose 2: -8.037 kcal/mol
  • Pose 3: -7.936 kcal/mol
  • Pose 4: -7.783 kcal/mol
  • Pose 5: -7.777 kcal/mol
  • Pose 6: -7.742 kcal/mol
  • Pose 7: -7.682 kcal/mol
  • Pose 8: -7.656 kcal/mol
  • Pose 9: -7.655 kcal/mol
CHEMBL237783_dpp4
Energy Plot
RMSD Scatter Plot