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

Docking Result

CHEMBL179382_dpp4

Atoms: 189
Models: 9
Best Energy: -7.813 kcal/mol

Binding Energies:
  • Pose 1: -7.813 kcal/mol
  • Pose 2: -7.6 kcal/mol
  • Pose 3: -7.462 kcal/mol
  • Pose 4: -7.43 kcal/mol
  • Pose 5: -7.364 kcal/mol
  • Pose 6: -7.338 kcal/mol
  • Pose 7: -7.322 kcal/mol
  • Pose 8: -7.302 kcal/mol
  • Pose 9: -7.052 kcal/mol
CHEMBL179382_dpp4
Energy Plot
RMSD Scatter Plot