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

Docking Result

CHEMBL3735852_dpp4

Atoms: 306
Models: 9
Best Energy: -8.915 kcal/mol

Binding Energies:
  • Pose 1: -8.915 kcal/mol
  • Pose 2: -8.796 kcal/mol
  • Pose 3: -8.682 kcal/mol
  • Pose 4: -8.593 kcal/mol
  • Pose 5: -8.401 kcal/mol
  • Pose 6: -8.399 kcal/mol
  • Pose 7: -8.357 kcal/mol
  • Pose 8: -8.31 kcal/mol
  • Pose 9: -7.976 kcal/mol
CHEMBL3735852_dpp4
Energy Plot
RMSD Scatter Plot