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

Docking Result

CHEMBL329581_dpp4

Atoms: 198
Models: 9
Best Energy: -6.492 kcal/mol

Binding Energies:
  • Pose 1: -6.492 kcal/mol
  • Pose 2: -6.396 kcal/mol
  • Pose 3: -6.379 kcal/mol
  • Pose 4: -6.316 kcal/mol
  • Pose 5: -6.233 kcal/mol
  • Pose 6: -6.204 kcal/mol
  • Pose 7: -6.177 kcal/mol
  • Pose 8: -6.099 kcal/mol
  • Pose 9: -5.999 kcal/mol
CHEMBL329581_dpp4
Energy Plot
RMSD Scatter Plot