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

Docking Result

CHEMBL249826_dpp4

Atoms: 243
Models: 9
Best Energy: -8.738 kcal/mol

Binding Energies:
  • Pose 1: -8.738 kcal/mol
  • Pose 2: -7.999 kcal/mol
  • Pose 3: -7.884 kcal/mol
  • Pose 4: -7.676 kcal/mol
  • Pose 5: -7.676 kcal/mol
  • Pose 6: -7.547 kcal/mol
  • Pose 7: -7.308 kcal/mol
  • Pose 8: -7.112 kcal/mol
  • Pose 9: -7.08 kcal/mol
CHEMBL249826_dpp4
Energy Plot
RMSD Scatter Plot