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

Docking Result

CHEMBL1819092_dpp4

Atoms: 306
Models: 9
Best Energy: -7.961 kcal/mol

Binding Energies:
  • Pose 1: -7.961 kcal/mol
  • Pose 2: -7.81 kcal/mol
  • Pose 3: -7.759 kcal/mol
  • Pose 4: -7.755 kcal/mol
  • Pose 5: -7.728 kcal/mol
  • Pose 6: -7.659 kcal/mol
  • Pose 7: -7.583 kcal/mol
  • Pose 8: -7.54 kcal/mol
  • Pose 9: -7.391 kcal/mol
CHEMBL1819092_dpp4
Energy Plot
RMSD Scatter Plot