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

Docking Result

CHEMBL400752_dpp4

Atoms: 306
Models: 9
Best Energy: -8.12 kcal/mol

Binding Energies:
  • Pose 1: -8.12 kcal/mol
  • Pose 2: -8.099 kcal/mol
  • Pose 3: -7.747 kcal/mol
  • Pose 4: -7.713 kcal/mol
  • Pose 5: -7.648 kcal/mol
  • Pose 6: -7.387 kcal/mol
  • Pose 7: -7.373 kcal/mol
  • Pose 8: -7.276 kcal/mol
  • Pose 9: -7.254 kcal/mol
CHEMBL400752_dpp4
Energy Plot
RMSD Scatter Plot