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

Docking Result

CHEMBL3329700_dpp4

Atoms: 306
Models: 9
Best Energy: -8.809 kcal/mol

Binding Energies:
  • Pose 1: -8.809 kcal/mol
  • Pose 2: -8.767 kcal/mol
  • Pose 3: -8.457 kcal/mol
  • Pose 4: -8.05 kcal/mol
  • Pose 5: -7.986 kcal/mol
  • Pose 6: -7.969 kcal/mol
  • Pose 7: -7.828 kcal/mol
  • Pose 8: -7.749 kcal/mol
  • Pose 9: -7.736 kcal/mol
CHEMBL3329700_dpp4
Energy Plot
RMSD Scatter Plot