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

Docking Result

CHEMBL1688418_dpp4

Atoms: 279
Models: 9
Best Energy: -7.521 kcal/mol

Binding Energies:
  • Pose 1: -7.521 kcal/mol
  • Pose 2: -7.349 kcal/mol
  • Pose 3: -7.258 kcal/mol
  • Pose 4: -7.246 kcal/mol
  • Pose 5: -7.226 kcal/mol
  • Pose 6: -7.103 kcal/mol
  • Pose 7: -7.068 kcal/mol
  • Pose 8: -6.883 kcal/mol
  • Pose 9: -6.759 kcal/mol
CHEMBL1688418_dpp4
Energy Plot
RMSD Scatter Plot