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

Docking Result

CHEMBL481177_dpp4

Atoms: 252
Models: 9
Best Energy: -7.546 kcal/mol

Binding Energies:
  • Pose 1: -7.546 kcal/mol
  • Pose 2: -7.219 kcal/mol
  • Pose 3: -7.203 kcal/mol
  • Pose 4: -7.106 kcal/mol
  • Pose 5: -7.099 kcal/mol
  • Pose 6: -7.096 kcal/mol
  • Pose 7: -7.034 kcal/mol
  • Pose 8: -6.749 kcal/mol
  • Pose 9: -6.665 kcal/mol
CHEMBL481177_dpp4
Energy Plot
RMSD Scatter Plot