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

Docking Result

CHEMBL471544_dpp4

Atoms: 261
Models: 9
Best Energy: -6.93 kcal/mol

Binding Energies:
  • Pose 1: -6.93 kcal/mol
  • Pose 2: -6.859 kcal/mol
  • Pose 3: -6.824 kcal/mol
  • Pose 4: -6.804 kcal/mol
  • Pose 5: -6.597 kcal/mol
  • Pose 6: -6.482 kcal/mol
  • Pose 7: -6.406 kcal/mol
  • Pose 8: -6.384 kcal/mol
  • Pose 9: -6.358 kcal/mol
CHEMBL471544_dpp4
Energy Plot
RMSD Scatter Plot