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

Docking Result

CHEMBL399189_dpp4

Atoms: 243
Models: 9
Best Energy: -7.939 kcal/mol

Binding Energies:
  • Pose 1: -7.939 kcal/mol
  • Pose 2: -7.459 kcal/mol
  • Pose 3: -7.282 kcal/mol
  • Pose 4: -7.22 kcal/mol
  • Pose 5: -7.1 kcal/mol
  • Pose 6: -6.867 kcal/mol
  • Pose 7: -6.815 kcal/mol
  • Pose 8: -6.787 kcal/mol
  • Pose 9: -6.707 kcal/mol
CHEMBL399189_dpp4
Energy Plot
RMSD Scatter Plot