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

Docking Result

CHEMBL177632_dpp4

Atoms: 207
Models: 9
Best Energy: -7.362 kcal/mol

Binding Energies:
  • Pose 1: -7.362 kcal/mol
  • Pose 2: -7.253 kcal/mol
  • Pose 3: -7.179 kcal/mol
  • Pose 4: -7.142 kcal/mol
  • Pose 5: -7.101 kcal/mol
  • Pose 6: -7.096 kcal/mol
  • Pose 7: -6.885 kcal/mol
  • Pose 8: -6.866 kcal/mol
  • Pose 9: -6.785 kcal/mol
CHEMBL177632_dpp4
Energy Plot
RMSD Scatter Plot