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

Docking Result

CHEMBL590326_dpp4

Atoms: 243
Models: 9
Best Energy: -7.24 kcal/mol

Binding Energies:
  • Pose 1: -7.24 kcal/mol
  • Pose 2: -6.847 kcal/mol
  • Pose 3: -6.796 kcal/mol
  • Pose 4: -6.75 kcal/mol
  • Pose 5: -6.639 kcal/mol
  • Pose 6: -6.57 kcal/mol
  • Pose 7: -6.505 kcal/mol
  • Pose 8: -6.43 kcal/mol
  • Pose 9: -6.389 kcal/mol
CHEMBL590326_dpp4
Energy Plot
RMSD Scatter Plot