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

Docking Result

CHEMBL77539_dpp4

Atoms: 225
Models: 9
Best Energy: -7.194 kcal/mol

Binding Energies:
  • Pose 1: -7.194 kcal/mol
  • Pose 2: -6.921 kcal/mol
  • Pose 3: -6.85 kcal/mol
  • Pose 4: -6.558 kcal/mol
  • Pose 5: -6.523 kcal/mol
  • Pose 6: -6.425 kcal/mol
  • Pose 7: -6.382 kcal/mol
  • Pose 8: -6.336 kcal/mol
  • Pose 9: -6.319 kcal/mol
CHEMBL77539_dpp4
Energy Plot
RMSD Scatter Plot