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

Docking Result

CHEMBL464093_dpp4

Atoms: 279
Models: 9
Best Energy: -8.286 kcal/mol

Binding Energies:
  • Pose 1: -8.286 kcal/mol
  • Pose 2: -7.301 kcal/mol
  • Pose 3: -7.276 kcal/mol
  • Pose 4: -7.262 kcal/mol
  • Pose 5: -7.087 kcal/mol
  • Pose 6: -7.07 kcal/mol
  • Pose 7: -6.956 kcal/mol
  • Pose 8: -6.941 kcal/mol
  • Pose 9: -6.652 kcal/mol
CHEMBL464093_dpp4
Energy Plot
RMSD Scatter Plot