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

Docking Result

CHEMBL510157_dpp4

Atoms: 189
Models: 9
Best Energy: -7.28 kcal/mol

Binding Energies:
  • Pose 1: -7.28 kcal/mol
  • Pose 2: -7.274 kcal/mol
  • Pose 3: -7.25 kcal/mol
  • Pose 4: -6.921 kcal/mol
  • Pose 5: -6.898 kcal/mol
  • Pose 6: -6.83 kcal/mol
  • Pose 7: -6.784 kcal/mol
  • Pose 8: -6.744 kcal/mol
  • Pose 9: -6.707 kcal/mol
CHEMBL510157_dpp4
Energy Plot
RMSD Scatter Plot