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

Docking Result

CHEMBL379260_dpp4

Atoms: 180
Models: 9
Best Energy: -6.687 kcal/mol

Binding Energies:
  • Pose 1: -6.687 kcal/mol
  • Pose 2: -6.155 kcal/mol
  • Pose 3: -6.137 kcal/mol
  • Pose 4: -5.94 kcal/mol
  • Pose 5: -5.874 kcal/mol
  • Pose 6: -5.815 kcal/mol
  • Pose 7: -5.639 kcal/mol
  • Pose 8: -5.585 kcal/mol
  • Pose 9: -5.273 kcal/mol
CHEMBL379260_dpp4
Energy Plot
RMSD Scatter Plot