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

Docking Result

CHEMBL23051_dpp4

Atoms: 315
Models: 9
Best Energy: -7.948 kcal/mol

Binding Energies:
  • Pose 1: -7.948 kcal/mol
  • Pose 2: -7.897 kcal/mol
  • Pose 3: -7.86 kcal/mol
  • Pose 4: -7.803 kcal/mol
  • Pose 5: -7.714 kcal/mol
  • Pose 6: -7.704 kcal/mol
  • Pose 7: -7.704 kcal/mol
  • Pose 8: -7.693 kcal/mol
  • Pose 9: -7.468 kcal/mol
CHEMBL23051_dpp4
Energy Plot
RMSD Scatter Plot