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

Docking Result

CHEMBL6132720_dpp4

Atoms: 459
Models: 9
Best Energy: -8.55 kcal/mol

Binding Energies:
  • Pose 1: -8.55 kcal/mol
  • Pose 2: -7.996 kcal/mol
  • Pose 3: -7.814 kcal/mol
  • Pose 4: -7.742 kcal/mol
  • Pose 5: -7.514 kcal/mol
  • Pose 6: -7.349 kcal/mol
  • Pose 7: -7.186 kcal/mol
  • Pose 8: -7.162 kcal/mol
  • Pose 9: -7.077 kcal/mol
CHEMBL6132720_dpp4
Energy Plot
RMSD Scatter Plot