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

Docking Result

CHEMBL5914058_dpp4

Atoms: 306
Models: 9
Best Energy: -8.028 kcal/mol

Binding Energies:
  • Pose 1: -8.028 kcal/mol
  • Pose 2: -7.858 kcal/mol
  • Pose 3: -7.804 kcal/mol
  • Pose 4: -7.688 kcal/mol
  • Pose 5: -7.461 kcal/mol
  • Pose 6: -7.275 kcal/mol
  • Pose 7: -7.197 kcal/mol
  • Pose 8: -7.023 kcal/mol
  • Pose 9: -6.882 kcal/mol
CHEMBL5914058_dpp4
Energy Plot
RMSD Scatter Plot