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

Docking Result

CHEMBL2024673_dpp4

Atoms: 198
Models: 9
Best Energy: -6.866 kcal/mol

Binding Energies:
  • Pose 1: -6.866 kcal/mol
  • Pose 2: -6.844 kcal/mol
  • Pose 3: -6.834 kcal/mol
  • Pose 4: -6.76 kcal/mol
  • Pose 5: -6.728 kcal/mol
  • Pose 6: -6.721 kcal/mol
  • Pose 7: -6.71 kcal/mol
  • Pose 8: -6.572 kcal/mol
  • Pose 9: -6.51 kcal/mol
CHEMBL2024673_dpp4
Energy Plot
RMSD Scatter Plot