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

Docking Result

CHEMBL391307_dpp4

Atoms: 306
Models: 9
Best Energy: -7.965 kcal/mol

Binding Energies:
  • Pose 1: -7.965 kcal/mol
  • Pose 2: -7.693 kcal/mol
  • Pose 3: -7.633 kcal/mol
  • Pose 4: -7.563 kcal/mol
  • Pose 5: -7.505 kcal/mol
  • Pose 6: -7.497 kcal/mol
  • Pose 7: -7.467 kcal/mol
  • Pose 8: -7.341 kcal/mol
  • Pose 9: -7.254 kcal/mol
CHEMBL391307_dpp4
Energy Plot
RMSD Scatter Plot