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

Docking Result

CHEMBL3898310_dpp4

Atoms: 333
Models: 9
Best Energy: -9.48 kcal/mol

Binding Energies:
  • Pose 1: -9.48 kcal/mol
  • Pose 2: -8.886 kcal/mol
  • Pose 3: -8.88 kcal/mol
  • Pose 4: -8.79 kcal/mol
  • Pose 5: -8.73 kcal/mol
  • Pose 6: -8.675 kcal/mol
  • Pose 7: -8.511 kcal/mol
  • Pose 8: -8.492 kcal/mol
  • Pose 9: -8.362 kcal/mol
CHEMBL3898310_dpp4
Energy Plot
RMSD Scatter Plot