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

Docking Result

CHEMBL331950_dpp4

Atoms: 243
Models: 9
Best Energy: -7.695 kcal/mol

Binding Energies:
  • Pose 1: -7.695 kcal/mol
  • Pose 2: -7.357 kcal/mol
  • Pose 3: -7.303 kcal/mol
  • Pose 4: -7.058 kcal/mol
  • Pose 5: -6.977 kcal/mol
  • Pose 6: -6.93 kcal/mol
  • Pose 7: -6.922 kcal/mol
  • Pose 8: -6.826 kcal/mol
  • Pose 9: -6.46 kcal/mol
CHEMBL331950_dpp4
Energy Plot
RMSD Scatter Plot