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

Docking Result

CHEMBL1688430_dpp4

Atoms: 261
Models: 9
Best Energy: -7.564 kcal/mol

Binding Energies:
  • Pose 1: -7.564 kcal/mol
  • Pose 2: -7.414 kcal/mol
  • Pose 3: -7.232 kcal/mol
  • Pose 4: -7.118 kcal/mol
  • Pose 5: -7.067 kcal/mol
  • Pose 6: -6.95 kcal/mol
  • Pose 7: -6.828 kcal/mol
  • Pose 8: -6.816 kcal/mol
  • Pose 9: -6.762 kcal/mol
CHEMBL1688430_dpp4
Energy Plot
RMSD Scatter Plot