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

Docking Result

CHEMBL1242993_dpp4

Atoms: 252
Models: 9
Best Energy: -8.158 kcal/mol

Binding Energies:
  • Pose 1: -8.158 kcal/mol
  • Pose 2: -7.596 kcal/mol
  • Pose 3: -7.549 kcal/mol
  • Pose 4: -7.547 kcal/mol
  • Pose 5: -7.493 kcal/mol
  • Pose 6: -7.443 kcal/mol
  • Pose 7: -7.386 kcal/mol
  • Pose 8: -7.344 kcal/mol
  • Pose 9: -7.341 kcal/mol
CHEMBL1242993_dpp4
Energy Plot
RMSD Scatter Plot