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

Docking Result

CHEMBL1683109_dpp4

Atoms: 261
Models: 9
Best Energy: -8.138 kcal/mol

Binding Energies:
  • Pose 1: -8.138 kcal/mol
  • Pose 2: -8.009 kcal/mol
  • Pose 3: -7.795 kcal/mol
  • Pose 4: -7.759 kcal/mol
  • Pose 5: -7.714 kcal/mol
  • Pose 6: -7.709 kcal/mol
  • Pose 7: -7.438 kcal/mol
  • Pose 8: -7.332 kcal/mol
  • Pose 9: -7.321 kcal/mol
CHEMBL1683109_dpp4
Energy Plot
RMSD Scatter Plot