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

Docking Result

CHEMBL3343899_dpp4

Atoms: 162
Models: 9
Best Energy: -6.07 kcal/mol

Binding Energies:
  • Pose 1: -6.07 kcal/mol
  • Pose 2: -5.907 kcal/mol
  • Pose 3: -5.887 kcal/mol
  • Pose 4: -5.877 kcal/mol
  • Pose 5: -5.871 kcal/mol
  • Pose 6: -5.84 kcal/mol
  • Pose 7: -5.796 kcal/mol
  • Pose 8: -5.76 kcal/mol
  • Pose 9: -5.492 kcal/mol
CHEMBL3343899_dpp4
Energy Plot
RMSD Scatter Plot