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

Docking Result

CHEMBL186032_dpp4

Atoms: 378
Models: 9
Best Energy: -8.055 kcal/mol

Binding Energies:
  • Pose 1: -8.055 kcal/mol
  • Pose 2: -7.94 kcal/mol
  • Pose 3: -7.836 kcal/mol
  • Pose 4: -7.787 kcal/mol
  • Pose 5: -7.756 kcal/mol
  • Pose 6: -7.752 kcal/mol
  • Pose 7: -7.74 kcal/mol
  • Pose 8: -7.706 kcal/mol
  • Pose 9: -7.703 kcal/mol
CHEMBL186032_dpp4
Energy Plot
RMSD Scatter Plot