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

Docking Result

CHEMBL382382_dpp4

Atoms: 162
Models: 9
Best Energy: -5.929 kcal/mol

Binding Energies:
  • Pose 1: -5.929 kcal/mol
  • Pose 2: -5.851 kcal/mol
  • Pose 3: -5.826 kcal/mol
  • Pose 4: -5.814 kcal/mol
  • Pose 5: -5.614 kcal/mol
  • Pose 6: -5.59 kcal/mol
  • Pose 7: -5.476 kcal/mol
  • Pose 8: -5.461 kcal/mol
  • Pose 9: -5.431 kcal/mol
CHEMBL382382_dpp4
Energy Plot
RMSD Scatter Plot