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

Docking Result

CHEMBL241673_dpp4

Atoms: 162
Models: 9
Best Energy: -6.407 kcal/mol

Binding Energies:
  • Pose 1: -6.407 kcal/mol
  • Pose 2: -6.139 kcal/mol
  • Pose 3: -5.889 kcal/mol
  • Pose 4: -5.85 kcal/mol
  • Pose 5: -5.802 kcal/mol
  • Pose 6: -5.63 kcal/mol
  • Pose 7: -5.591 kcal/mol
  • Pose 8: -5.554 kcal/mol
  • Pose 9: -5.552 kcal/mol
CHEMBL241673_dpp4
Energy Plot
RMSD Scatter Plot