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

Docking Result

CHEMBL240601_dpp4

Atoms: 225
Models: 9
Best Energy: -7.302 kcal/mol

Binding Energies:
  • Pose 1: -7.302 kcal/mol
  • Pose 2: -7.007 kcal/mol
  • Pose 3: -6.985 kcal/mol
  • Pose 4: -6.84 kcal/mol
  • Pose 5: -6.562 kcal/mol
  • Pose 6: -6.555 kcal/mol
  • Pose 7: -6.486 kcal/mol
  • Pose 8: -6.484 kcal/mol
  • Pose 9: -6.482 kcal/mol
CHEMBL240601_dpp4
Energy Plot
RMSD Scatter Plot