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

Docking Result

CHEMBL393957_dpp4

Atoms: 207
Models: 9
Best Energy: -7.061 kcal/mol

Binding Energies:
  • Pose 1: -7.061 kcal/mol
  • Pose 2: -6.935 kcal/mol
  • Pose 3: -6.888 kcal/mol
  • Pose 4: -6.785 kcal/mol
  • Pose 5: -6.669 kcal/mol
  • Pose 6: -6.441 kcal/mol
  • Pose 7: -6.348 kcal/mol
  • Pose 8: -6.293 kcal/mol
  • Pose 9: -6.223 kcal/mol
CHEMBL393957_dpp4
Energy Plot
RMSD Scatter Plot