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

Docking Result

CHEMBL3632864_dpp4

Atoms: 153
Models: 9
Best Energy: -6.056 kcal/mol

Binding Energies:
  • Pose 1: -6.056 kcal/mol
  • Pose 2: -5.764 kcal/mol
  • Pose 3: -5.629 kcal/mol
  • Pose 4: -5.479 kcal/mol
  • Pose 5: -5.403 kcal/mol
  • Pose 6: -5.386 kcal/mol
  • Pose 7: -5.339 kcal/mol
  • Pose 8: -5.332 kcal/mol
  • Pose 9: -5.128 kcal/mol
CHEMBL3632864_dpp4
Energy Plot
RMSD Scatter Plot