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

Docking Result

CHEMBL29292_dpp4

Atoms: 243
Models: 9
Best Energy: -7.091 kcal/mol

Binding Energies:
  • Pose 1: -7.091 kcal/mol
  • Pose 2: -6.959 kcal/mol
  • Pose 3: -6.897 kcal/mol
  • Pose 4: -6.625 kcal/mol
  • Pose 5: -6.621 kcal/mol
  • Pose 6: -6.559 kcal/mol
  • Pose 7: -6.519 kcal/mol
  • Pose 8: -6.489 kcal/mol
  • Pose 9: -6.45 kcal/mol
CHEMBL29292_dpp4
Energy Plot
RMSD Scatter Plot