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

Docking Result

CHEMBL256266_dpp4

Atoms: 189
Models: 9
Best Energy: -7.34 kcal/mol

Binding Energies:
  • Pose 1: -7.34 kcal/mol
  • Pose 2: -6.69 kcal/mol
  • Pose 3: -6.23 kcal/mol
  • Pose 4: -6.155 kcal/mol
  • Pose 5: -6.126 kcal/mol
  • Pose 6: -6.108 kcal/mol
  • Pose 7: -6.055 kcal/mol
  • Pose 8: -6.025 kcal/mol
  • Pose 9: -5.993 kcal/mol
CHEMBL256266_dpp4
Energy Plot
RMSD Scatter Plot