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

Docking Result

CHEMBL1085579_dpp4

Atoms: 225
Models: 9
Best Energy: -6.59 kcal/mol

Binding Energies:
  • Pose 1: -6.59 kcal/mol
  • Pose 2: -6.372 kcal/mol
  • Pose 3: -6.235 kcal/mol
  • Pose 4: -6.192 kcal/mol
  • Pose 5: -6.13 kcal/mol
  • Pose 6: -6.062 kcal/mol
  • Pose 7: -6.05 kcal/mol
  • Pose 8: -5.875 kcal/mol
  • Pose 9: -5.691 kcal/mol
CHEMBL1085579_dpp4
Energy Plot
RMSD Scatter Plot