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

Docking Result

CHEMBL3616897_dpp4

Atoms: 324
Models: 9
Best Energy: -8.131 kcal/mol

Binding Energies:
  • Pose 1: -8.131 kcal/mol
  • Pose 2: -8.077 kcal/mol
  • Pose 3: -7.923 kcal/mol
  • Pose 4: -7.857 kcal/mol
  • Pose 5: -7.826 kcal/mol
  • Pose 6: -7.825 kcal/mol
  • Pose 7: -7.767 kcal/mol
  • Pose 8: -7.736 kcal/mol
  • Pose 9: -7.576 kcal/mol
CHEMBL3616897_dpp4
Energy Plot
RMSD Scatter Plot