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

Docking Result

CHEMBL2425883_dpp4

Atoms: 252
Models: 9
Best Energy: -7.386 kcal/mol

Binding Energies:
  • Pose 1: -7.386 kcal/mol
  • Pose 2: -7.282 kcal/mol
  • Pose 3: -7.251 kcal/mol
  • Pose 4: -7.048 kcal/mol
  • Pose 5: -7.047 kcal/mol
  • Pose 6: -6.953 kcal/mol
  • Pose 7: -6.867 kcal/mol
  • Pose 8: -6.736 kcal/mol
  • Pose 9: -6.639 kcal/mol
CHEMBL2425883_dpp4
Energy Plot
RMSD Scatter Plot