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

Docking Result

CHEMBL439836_dpp4

Atoms: 261
Models: 9
Best Energy: -6.653 kcal/mol

Binding Energies:
  • Pose 1: -6.653 kcal/mol
  • Pose 2: -6.65 kcal/mol
  • Pose 3: -6.463 kcal/mol
  • Pose 4: -6.352 kcal/mol
  • Pose 5: -6.314 kcal/mol
  • Pose 6: -6.297 kcal/mol
  • Pose 7: -6.255 kcal/mol
  • Pose 8: -6.118 kcal/mol
  • Pose 9: -6.051 kcal/mol
CHEMBL439836_dpp4
Energy Plot
RMSD Scatter Plot