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

Docking Result

CHEMBL3974699_dpp4

Atoms: 342
Models: 9
Best Energy: -9.481 kcal/mol

Binding Energies:
  • Pose 1: -9.481 kcal/mol
  • Pose 2: -8.828 kcal/mol
  • Pose 3: -8.801 kcal/mol
  • Pose 4: -8.717 kcal/mol
  • Pose 5: -8.613 kcal/mol
  • Pose 6: -8.571 kcal/mol
  • Pose 7: -8.566 kcal/mol
  • Pose 8: -8.48 kcal/mol
  • Pose 9: -8.45 kcal/mol
CHEMBL3974699_dpp4
Energy Plot
RMSD Scatter Plot