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

Docking Result

CHEMBL327166_dpp4

Atoms: 234
Models: 9
Best Energy: -6.996 kcal/mol

Binding Energies:
  • Pose 1: -6.996 kcal/mol
  • Pose 2: -6.887 kcal/mol
  • Pose 3: -6.773 kcal/mol
  • Pose 4: -6.758 kcal/mol
  • Pose 5: -6.549 kcal/mol
  • Pose 6: -6.462 kcal/mol
  • Pose 7: -6.462 kcal/mol
  • Pose 8: -6.346 kcal/mol
  • Pose 9: -6.339 kcal/mol
CHEMBL327166_dpp4
Energy Plot
RMSD Scatter Plot