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

Docking Result

CHEMBL3654421_dpp4

Atoms: 279
Models: 9
Best Energy: -6.435 kcal/mol

Binding Energies:
  • Pose 1: -6.435 kcal/mol
  • Pose 2: -6.307 kcal/mol
  • Pose 3: -6.222 kcal/mol
  • Pose 4: -5.981 kcal/mol
  • Pose 5: -5.93 kcal/mol
  • Pose 6: -5.775 kcal/mol
  • Pose 7: -5.755 kcal/mol
  • Pose 8: -5.648 kcal/mol
  • Pose 9: -5.613 kcal/mol
CHEMBL3654421_dpp4
Energy Plot
RMSD Scatter Plot