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

Docking Result

CHEMBL564105_dpp4

Atoms: 270
Models: 9
Best Energy: -7.18 kcal/mol

Binding Energies:
  • Pose 1: -7.18 kcal/mol
  • Pose 2: -7.159 kcal/mol
  • Pose 3: -7.114 kcal/mol
  • Pose 4: -6.947 kcal/mol
  • Pose 5: -6.877 kcal/mol
  • Pose 6: -6.806 kcal/mol
  • Pose 7: -6.79 kcal/mol
  • Pose 8: -6.74 kcal/mol
  • Pose 9: -6.709 kcal/mol
CHEMBL564105_dpp4
Energy Plot
RMSD Scatter Plot