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

Docking Result

CHEMBL591982_dpp4

Atoms: 261
Models: 9
Best Energy: -7.472 kcal/mol

Binding Energies:
  • Pose 1: -7.472 kcal/mol
  • Pose 2: -7.348 kcal/mol
  • Pose 3: -7.336 kcal/mol
  • Pose 4: -7.246 kcal/mol
  • Pose 5: -7.156 kcal/mol
  • Pose 6: -7.098 kcal/mol
  • Pose 7: -7.005 kcal/mol
  • Pose 8: -6.836 kcal/mol
  • Pose 9: -6.78 kcal/mol
CHEMBL591982_dpp4
Energy Plot
RMSD Scatter Plot