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

Docking Result

CHEMBL1233461_dpp4

Atoms: 126
Models: 9
Best Energy: -5.557 kcal/mol

Binding Energies:
  • Pose 1: -5.557 kcal/mol
  • Pose 2: -5.542 kcal/mol
  • Pose 3: -5.495 kcal/mol
  • Pose 4: -5.39 kcal/mol
  • Pose 5: -5.275 kcal/mol
  • Pose 6: -5.093 kcal/mol
  • Pose 7: -4.906 kcal/mol
  • Pose 8: -4.877 kcal/mol
  • Pose 9: -4.869 kcal/mol
CHEMBL1233461_dpp4
Energy Plot
RMSD Scatter Plot