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

Docking Result

CHEMBL91130_dpp4

Atoms: 234
Models: 9
Best Energy: -7.687 kcal/mol

Binding Energies:
  • Pose 1: -7.687 kcal/mol
  • Pose 2: -7.453 kcal/mol
  • Pose 3: -7.373 kcal/mol
  • Pose 4: -7.274 kcal/mol
  • Pose 5: -7.257 kcal/mol
  • Pose 6: -7.162 kcal/mol
  • Pose 7: -7.14 kcal/mol
  • Pose 8: -7.062 kcal/mol
  • Pose 9: -6.967 kcal/mol
CHEMBL91130_dpp4
Energy Plot
RMSD Scatter Plot