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

Docking Result

CHEMBL1951613_dpp4

Atoms: 360
Models: 9
Best Energy: -6.859 kcal/mol

Binding Energies:
  • Pose 1: -6.859 kcal/mol
  • Pose 2: -6.681 kcal/mol
  • Pose 3: -6.588 kcal/mol
  • Pose 4: -6.558 kcal/mol
  • Pose 5: -6.499 kcal/mol
  • Pose 6: -6.484 kcal/mol
  • Pose 7: -6.321 kcal/mol
  • Pose 8: -6.303 kcal/mol
  • Pose 9: -6.07 kcal/mol
CHEMBL1951613_dpp4
Energy Plot
RMSD Scatter Plot