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

Docking Result

CHEMBL3357764_dpp4

Atoms: 333
Models: 9
Best Energy: -8.573 kcal/mol

Binding Energies:
  • Pose 1: -8.573 kcal/mol
  • Pose 2: -8.524 kcal/mol
  • Pose 3: -8.38 kcal/mol
  • Pose 4: -8.255 kcal/mol
  • Pose 5: -8.245 kcal/mol
  • Pose 6: -8.163 kcal/mol
  • Pose 7: -8.065 kcal/mol
  • Pose 8: -7.995 kcal/mol
  • Pose 9: -7.787 kcal/mol
CHEMBL3357764_dpp4
Energy Plot
RMSD Scatter Plot