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

Docking Result

CHEMBL2165586_dpp4

Atoms: 459
Models: 9
Best Energy: -9.436 kcal/mol

Binding Energies:
  • Pose 1: -9.436 kcal/mol
  • Pose 2: -9.289 kcal/mol
  • Pose 3: -9.269 kcal/mol
  • Pose 4: -8.891 kcal/mol
  • Pose 5: -8.817 kcal/mol
  • Pose 6: -8.799 kcal/mol
  • Pose 7: -8.786 kcal/mol
  • Pose 8: -8.77 kcal/mol
  • Pose 9: -8.67 kcal/mol
CHEMBL2165586_dpp4
Energy Plot
RMSD Scatter Plot