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

Docking Result

CHEMBL471956_dpp4

Atoms: 234
Models: 9
Best Energy: -7.407 kcal/mol

Binding Energies:
  • Pose 1: -7.407 kcal/mol
  • Pose 2: -7.23 kcal/mol
  • Pose 3: -7.212 kcal/mol
  • Pose 4: -7.118 kcal/mol
  • Pose 5: -7.085 kcal/mol
  • Pose 6: -6.868 kcal/mol
  • Pose 7: -6.856 kcal/mol
  • Pose 8: -6.813 kcal/mol
  • Pose 9: -6.723 kcal/mol
CHEMBL471956_dpp4
Energy Plot
RMSD Scatter Plot