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

Docking Result

CHEMBL452805_dpp4

Atoms: 243
Models: 9
Best Energy: -5.886 kcal/mol

Binding Energies:
  • Pose 1: -5.886 kcal/mol
  • Pose 2: -5.855 kcal/mol
  • Pose 3: -5.791 kcal/mol
  • Pose 4: -5.748 kcal/mol
  • Pose 5: -5.587 kcal/mol
  • Pose 6: -5.584 kcal/mol
  • Pose 7: -5.417 kcal/mol
  • Pose 8: -5.353 kcal/mol
  • Pose 9: -5.101 kcal/mol
CHEMBL452805_dpp4
Energy Plot
RMSD Scatter Plot