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

Docking Result

CHEMBL2346925_dpp4

Atoms: 306
Models: 9
Best Energy: -8.78 kcal/mol

Binding Energies:
  • Pose 1: -8.78 kcal/mol
  • Pose 2: -8.639 kcal/mol
  • Pose 3: -8.547 kcal/mol
  • Pose 4: -8.472 kcal/mol
  • Pose 5: -8.3 kcal/mol
  • Pose 6: -8.216 kcal/mol
  • Pose 7: -7.935 kcal/mol
  • Pose 8: -7.916 kcal/mol
  • Pose 9: -7.876 kcal/mol
CHEMBL2346925_dpp4
Energy Plot
RMSD Scatter Plot