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

Docking Result

CHEMBL257589_dpp4

Atoms: 297
Models: 9
Best Energy: -7.536 kcal/mol

Binding Energies:
  • Pose 1: -7.536 kcal/mol
  • Pose 2: -7.399 kcal/mol
  • Pose 3: -7.371 kcal/mol
  • Pose 4: -7.313 kcal/mol
  • Pose 5: -7.275 kcal/mol
  • Pose 6: -7.174 kcal/mol
  • Pose 7: -7.162 kcal/mol
  • Pose 8: -7.087 kcal/mol
  • Pose 9: -7.033 kcal/mol
CHEMBL257589_dpp4
Energy Plot
RMSD Scatter Plot