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

Docking Result

CHEMBL2425882_dpp4

Atoms: 225
Models: 9
Best Energy: -6.751 kcal/mol

Binding Energies:
  • Pose 1: -6.751 kcal/mol
  • Pose 2: -6.421 kcal/mol
  • Pose 3: -6.363 kcal/mol
  • Pose 4: -6.328 kcal/mol
  • Pose 5: -6.283 kcal/mol
  • Pose 6: -6.205 kcal/mol
  • Pose 7: -6.191 kcal/mol
  • Pose 8: -6.133 kcal/mol
  • Pose 9: -6.054 kcal/mol
CHEMBL2425882_dpp4
Energy Plot
RMSD Scatter Plot