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

Docking Result

CHEMBL94147_dpp4

Atoms: 171
Models: 9
Best Energy: -5.617 kcal/mol

Binding Energies:
  • Pose 1: -5.617 kcal/mol
  • Pose 2: -5.612 kcal/mol
  • Pose 3: -5.605 kcal/mol
  • Pose 4: -5.586 kcal/mol
  • Pose 5: -5.487 kcal/mol
  • Pose 6: -5.461 kcal/mol
  • Pose 7: -5.41 kcal/mol
  • Pose 8: -5.349 kcal/mol
  • Pose 9: -5.341 kcal/mol
CHEMBL94147_dpp4
Energy Plot
RMSD Scatter Plot