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

Docking Result

CHEMBL3616915_dpp4

Atoms: 225
Models: 9
Best Energy: -7.344 kcal/mol

Binding Energies:
  • Pose 1: -7.344 kcal/mol
  • Pose 2: -7.113 kcal/mol
  • Pose 3: -6.911 kcal/mol
  • Pose 4: -6.762 kcal/mol
  • Pose 5: -6.714 kcal/mol
  • Pose 6: -6.681 kcal/mol
  • Pose 7: -6.661 kcal/mol
  • Pose 8: -6.591 kcal/mol
  • Pose 9: -6.477 kcal/mol
CHEMBL3616915_dpp4
Energy Plot
RMSD Scatter Plot