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

Docking Result

CHEMBL390884_dpp4

Atoms: 288
Models: 9
Best Energy: -5.463 kcal/mol

Binding Energies:
  • Pose 1: -5.463 kcal/mol
  • Pose 2: -5.365 kcal/mol
  • Pose 3: -5.199 kcal/mol
  • Pose 4: -5.029 kcal/mol
  • Pose 5: -4.981 kcal/mol
  • Pose 6: -4.796 kcal/mol
  • Pose 7: -4.783 kcal/mol
  • Pose 8: -4.758 kcal/mol
  • Pose 9: -4.73 kcal/mol
CHEMBL390884_dpp4
Energy Plot
RMSD Scatter Plot