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

Docking Result

CHEMBL275638_dpp4

Atoms: 153
Models: 9
Best Energy: -7.844 kcal/mol

Binding Energies:
  • Pose 1: -7.844 kcal/mol
  • Pose 2: -7.687 kcal/mol
  • Pose 3: -7.3 kcal/mol
  • Pose 4: -7.256 kcal/mol
  • Pose 5: -7.183 kcal/mol
  • Pose 6: -7.016 kcal/mol
  • Pose 7: -6.933 kcal/mol
  • Pose 8: -6.776 kcal/mol
  • Pose 9: -6.769 kcal/mol
CHEMBL275638_dpp4
Energy Plot
RMSD Scatter Plot