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

Docking Result

CHEMBL497735_dpp4

Atoms: 270
Models: 9
Best Energy: -8.758 kcal/mol

Binding Energies:
  • Pose 1: -8.758 kcal/mol
  • Pose 2: -8.493 kcal/mol
  • Pose 3: -8.312 kcal/mol
  • Pose 4: -8.218 kcal/mol
  • Pose 5: -8.156 kcal/mol
  • Pose 6: -8.139 kcal/mol
  • Pose 7: -8.022 kcal/mol
  • Pose 8: -7.971 kcal/mol
  • Pose 9: -7.958 kcal/mol
CHEMBL497735_dpp4
Energy Plot
RMSD Scatter Plot