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

Docking Result

CHEMBL93507_dpp4

Atoms: 144
Models: 9
Best Energy: -5.601 kcal/mol

Binding Energies:
  • Pose 1: -5.601 kcal/mol
  • Pose 2: -5.476 kcal/mol
  • Pose 3: -5.416 kcal/mol
  • Pose 4: -5.409 kcal/mol
  • Pose 5: -5.389 kcal/mol
  • Pose 6: -5.366 kcal/mol
  • Pose 7: -5.265 kcal/mol
  • Pose 8: -5.219 kcal/mol
  • Pose 9: -5.199 kcal/mol
CHEMBL93507_dpp4
Energy Plot
RMSD Scatter Plot