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

Docking Result

CHEMBL450091_dpp4

Atoms: 162
Models: 9
Best Energy: -6.743 kcal/mol

Binding Energies:
  • Pose 1: -6.743 kcal/mol
  • Pose 2: -6.405 kcal/mol
  • Pose 3: -6.283 kcal/mol
  • Pose 4: -6.196 kcal/mol
  • Pose 5: -6.181 kcal/mol
  • Pose 6: -6.056 kcal/mol
  • Pose 7: -5.902 kcal/mol
  • Pose 8: -5.658 kcal/mol
  • Pose 9: -5.528 kcal/mol
CHEMBL450091_dpp4
Energy Plot
RMSD Scatter Plot