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

Docking Result

CHEMBL189258_dpp4

Atoms: 243
Models: 9
Best Energy: -7.304 kcal/mol

Binding Energies:
  • Pose 1: -7.304 kcal/mol
  • Pose 2: -7.169 kcal/mol
  • Pose 3: -7.113 kcal/mol
  • Pose 4: -7.061 kcal/mol
  • Pose 5: -7.041 kcal/mol
  • Pose 6: -7.039 kcal/mol
  • Pose 7: -6.993 kcal/mol
  • Pose 8: -6.908 kcal/mol
  • Pose 9: -6.898 kcal/mol
CHEMBL189258_dpp4
Energy Plot
RMSD Scatter Plot