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

Docking Result

CHEMBL184808_dpp4

Atoms: 261
Models: 9
Best Energy: -7.851 kcal/mol

Binding Energies:
  • Pose 1: -7.851 kcal/mol
  • Pose 2: -7.653 kcal/mol
  • Pose 3: -7.636 kcal/mol
  • Pose 4: -7.249 kcal/mol
  • Pose 5: -7.145 kcal/mol
  • Pose 6: -7.062 kcal/mol
  • Pose 7: -6.851 kcal/mol
  • Pose 8: -6.79 kcal/mol
  • Pose 9: -6.738 kcal/mol
CHEMBL184808_dpp4
Energy Plot
RMSD Scatter Plot