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

Docking Result

CHEMBL4846335_dpp4

Atoms: 297
Models: 9
Best Energy: -8.533 kcal/mol

Binding Energies:
  • Pose 1: -8.533 kcal/mol
  • Pose 2: -8.34 kcal/mol
  • Pose 3: -8.029 kcal/mol
  • Pose 4: -7.89 kcal/mol
  • Pose 5: -7.873 kcal/mol
  • Pose 6: -7.833 kcal/mol
  • Pose 7: -7.775 kcal/mol
  • Pose 8: -7.765 kcal/mol
  • Pose 9: -7.728 kcal/mol
CHEMBL4846335_dpp4
Energy Plot
RMSD Scatter Plot