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

Docking Result

CHEMBL193106_dpp4

Atoms: 261
Models: 9
Best Energy: -7.284 kcal/mol

Binding Energies:
  • Pose 1: -7.284 kcal/mol
  • Pose 2: -7.089 kcal/mol
  • Pose 3: -7.071 kcal/mol
  • Pose 4: -7.019 kcal/mol
  • Pose 5: -6.943 kcal/mol
  • Pose 6: -6.922 kcal/mol
  • Pose 7: -6.91 kcal/mol
  • Pose 8: -6.9 kcal/mol
  • Pose 9: -6.884 kcal/mol
CHEMBL193106_dpp4
Energy Plot
RMSD Scatter Plot