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

Docking Result

CHEMBL2024674_dpp4

Atoms: 162
Models: 9
Best Energy: -6.09 kcal/mol

Binding Energies:
  • Pose 1: -6.09 kcal/mol
  • Pose 2: -6.084 kcal/mol
  • Pose 3: -5.999 kcal/mol
  • Pose 4: -5.861 kcal/mol
  • Pose 5: -5.843 kcal/mol
  • Pose 6: -5.797 kcal/mol
  • Pose 7: -5.673 kcal/mol
  • Pose 8: -5.58 kcal/mol
  • Pose 9: -5.538 kcal/mol
CHEMBL2024674_dpp4
Energy Plot
RMSD Scatter Plot