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

Docking Result

CHEMBL248599_dpp4

Atoms: 234
Models: 9
Best Energy: -8.205 kcal/mol

Binding Energies:
  • Pose 1: -8.205 kcal/mol
  • Pose 2: -7.963 kcal/mol
  • Pose 3: -7.775 kcal/mol
  • Pose 4: -7.646 kcal/mol
  • Pose 5: -7.585 kcal/mol
  • Pose 6: -7.452 kcal/mol
  • Pose 7: -7.45 kcal/mol
  • Pose 8: -7.369 kcal/mol
  • Pose 9: -7.246 kcal/mol
CHEMBL248599_dpp4
Energy Plot
RMSD Scatter Plot