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

Docking Result

CHEMBL399610_dpp4

Atoms: 252
Models: 9
Best Energy: -7.146 kcal/mol

Binding Energies:
  • Pose 1: -7.146 kcal/mol
  • Pose 2: -7.04 kcal/mol
  • Pose 3: -6.963 kcal/mol
  • Pose 4: -6.923 kcal/mol
  • Pose 5: -6.785 kcal/mol
  • Pose 6: -6.767 kcal/mol
  • Pose 7: -6.751 kcal/mol
  • Pose 8: -6.741 kcal/mol
  • Pose 9: -6.637 kcal/mol
CHEMBL399610_dpp4
Energy Plot
RMSD Scatter Plot