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

Docking Result

CHEMBL394834_dpp4

Atoms: 270
Models: 9
Best Energy: -7.804 kcal/mol

Binding Energies:
  • Pose 1: -7.804 kcal/mol
  • Pose 2: -7.804 kcal/mol
  • Pose 3: -7.766 kcal/mol
  • Pose 4: -7.723 kcal/mol
  • Pose 5: -7.712 kcal/mol
  • Pose 6: -7.679 kcal/mol
  • Pose 7: -7.645 kcal/mol
  • Pose 8: -7.529 kcal/mol
  • Pose 9: -7.449 kcal/mol
CHEMBL394834_dpp4
Energy Plot
RMSD Scatter Plot