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

Docking Result

CHEMBL3645492_dpp4

Atoms: 297
Models: 9
Best Energy: -8.386 kcal/mol

Binding Energies:
  • Pose 1: -8.386 kcal/mol
  • Pose 2: -8.326 kcal/mol
  • Pose 3: -8.21 kcal/mol
  • Pose 4: -8.094 kcal/mol
  • Pose 5: -8.083 kcal/mol
  • Pose 6: -7.926 kcal/mol
  • Pose 7: -7.825 kcal/mol
  • Pose 8: -7.588 kcal/mol
  • Pose 9: -7.524 kcal/mol
CHEMBL3645492_dpp4
Energy Plot
RMSD Scatter Plot