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

Docking Result

CHEMBL3330071_dpp4

Atoms: 234
Models: 9
Best Energy: -7.373 kcal/mol

Binding Energies:
  • Pose 1: -7.373 kcal/mol
  • Pose 2: -7.342 kcal/mol
  • Pose 3: -7.329 kcal/mol
  • Pose 4: -7.324 kcal/mol
  • Pose 5: -7.186 kcal/mol
  • Pose 6: -7.162 kcal/mol
  • Pose 7: -7.119 kcal/mol
  • Pose 8: -7.062 kcal/mol
  • Pose 9: -7.037 kcal/mol
CHEMBL3330071_dpp4
Energy Plot
RMSD Scatter Plot