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

Docking Result

CHEMBL3357779_dpp4

Atoms: 333
Models: 9
Best Energy: -8.308 kcal/mol

Binding Energies:
  • Pose 1: -8.308 kcal/mol
  • Pose 2: -8.221 kcal/mol
  • Pose 3: -8.152 kcal/mol
  • Pose 4: -7.997 kcal/mol
  • Pose 5: -7.892 kcal/mol
  • Pose 6: -7.852 kcal/mol
  • Pose 7: -7.852 kcal/mol
  • Pose 8: -7.788 kcal/mol
  • Pose 9: -7.719 kcal/mol
CHEMBL3357779_dpp4
Energy Plot
RMSD Scatter Plot