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

Docking Result

CHEMBL297453_dpp4

Atoms: 369
Models: 9
Best Energy: -8.658 kcal/mol

Binding Energies:
  • Pose 1: -8.658 kcal/mol
  • Pose 2: -8.658 kcal/mol
  • Pose 3: -8.227 kcal/mol
  • Pose 4: -8.214 kcal/mol
  • Pose 5: -8.158 kcal/mol
  • Pose 6: -8.082 kcal/mol
  • Pose 7: -8.057 kcal/mol
  • Pose 8: -7.914 kcal/mol
  • Pose 9: -7.871 kcal/mol
CHEMBL297453_dpp4
Energy Plot
RMSD Scatter Plot