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

Docking Result

CHEMBL510322_dpp4

Atoms: 198
Models: 9
Best Energy: -7.423 kcal/mol

Binding Energies:
  • Pose 1: -7.423 kcal/mol
  • Pose 2: -7.213 kcal/mol
  • Pose 3: -6.784 kcal/mol
  • Pose 4: -6.779 kcal/mol
  • Pose 5: -6.645 kcal/mol
  • Pose 6: -6.6 kcal/mol
  • Pose 7: -6.535 kcal/mol
  • Pose 8: -6.435 kcal/mol
  • Pose 9: -6.388 kcal/mol
CHEMBL510322_dpp4
Energy Plot
RMSD Scatter Plot