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

Docking Result

CHEMBL1779690_dpp4

Atoms: 333
Models: 9
Best Energy: -8.567 kcal/mol

Binding Energies:
  • Pose 1: -8.567 kcal/mol
  • Pose 2: -8.466 kcal/mol
  • Pose 3: -8.354 kcal/mol
  • Pose 4: -8.349 kcal/mol
  • Pose 5: -8.334 kcal/mol
  • Pose 6: -8.286 kcal/mol
  • Pose 7: -8.279 kcal/mol
  • Pose 8: -8.213 kcal/mol
  • Pose 9: -8.046 kcal/mol
CHEMBL1779690_dpp4
Energy Plot
RMSD Scatter Plot