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

Docking Result

CHEMBL4454091_dpp4

Atoms: 243
Models: 9
Best Energy: -8.828 kcal/mol

Binding Energies:
  • Pose 1: -8.828 kcal/mol
  • Pose 2: -8.609 kcal/mol
  • Pose 3: -8.498 kcal/mol
  • Pose 4: -8.087 kcal/mol
  • Pose 5: -7.736 kcal/mol
  • Pose 6: -7.633 kcal/mol
  • Pose 7: -7.51 kcal/mol
  • Pose 8: -7.219 kcal/mol
  • Pose 9: -7.137 kcal/mol
CHEMBL4454091_dpp4
Energy Plot
RMSD Scatter Plot