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

Docking Result

CHEMBL201544_dpp4

Atoms: 234
Models: 9
Best Energy: -6.979 kcal/mol

Binding Energies:
  • Pose 1: -6.979 kcal/mol
  • Pose 2: -6.846 kcal/mol
  • Pose 3: -6.7 kcal/mol
  • Pose 4: -6.664 kcal/mol
  • Pose 5: -6.623 kcal/mol
  • Pose 6: -6.596 kcal/mol
  • Pose 7: -6.522 kcal/mol
  • Pose 8: -6.454 kcal/mol
  • Pose 9: -6.453 kcal/mol
CHEMBL201544_dpp4
Energy Plot
RMSD Scatter Plot