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

Docking Result

CHEMBL3926320_dpp4

Atoms: 234
Models: 9
Best Energy: -8.833 kcal/mol

Binding Energies:
  • Pose 1: -8.833 kcal/mol
  • Pose 2: -8.205 kcal/mol
  • Pose 3: -8.205 kcal/mol
  • Pose 4: -8.103 kcal/mol
  • Pose 5: -8.037 kcal/mol
  • Pose 6: -7.907 kcal/mol
  • Pose 7: -7.721 kcal/mol
  • Pose 8: -7.709 kcal/mol
  • Pose 9: -7.661 kcal/mol
CHEMBL3926320_dpp4
Energy Plot
RMSD Scatter Plot