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

Docking Result

CHEMBL3910262_dpp4

Atoms: 324
Models: 9
Best Energy: -10.347 kcal/mol

Binding Energies:
  • Pose 1: -10.347 kcal/mol
  • Pose 2: -9.732 kcal/mol
  • Pose 3: -9.308 kcal/mol
  • Pose 4: -9.274 kcal/mol
  • Pose 5: -9.225 kcal/mol
  • Pose 6: -9.176 kcal/mol
  • Pose 7: -9.117 kcal/mol
  • Pose 8: -9.087 kcal/mol
  • Pose 9: -8.823 kcal/mol
CHEMBL3910262_dpp4
Energy Plot
RMSD Scatter Plot