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

Docking Result

CHEMBL83418_dpp4

Atoms: 144
Models: 9
Best Energy: -5.478 kcal/mol

Binding Energies:
  • Pose 1: -5.478 kcal/mol
  • Pose 2: -5.472 kcal/mol
  • Pose 3: -5.403 kcal/mol
  • Pose 4: -5.343 kcal/mol
  • Pose 5: -5.324 kcal/mol
  • Pose 6: -5.262 kcal/mol
  • Pose 7: -5.246 kcal/mol
  • Pose 8: -5.234 kcal/mol
  • Pose 9: -5.181 kcal/mol
CHEMBL83418_dpp4
Energy Plot
RMSD Scatter Plot