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

Docking Result

CHEMBL557315_dpp4

Atoms: 306
Models: 9
Best Energy: -8.257 kcal/mol

Binding Energies:
  • Pose 1: -8.257 kcal/mol
  • Pose 2: -8.173 kcal/mol
  • Pose 3: -8.156 kcal/mol
  • Pose 4: -7.958 kcal/mol
  • Pose 5: -7.722 kcal/mol
  • Pose 6: -7.554 kcal/mol
  • Pose 7: -7.55 kcal/mol
  • Pose 8: -7.49 kcal/mol
  • Pose 9: -7.434 kcal/mol
CHEMBL557315_dpp4
Energy Plot
RMSD Scatter Plot