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

Docking Result

CHEMBL3900683_dpp4

Atoms: 225
Models: 9
Best Energy: -7.966 kcal/mol

Binding Energies:
  • Pose 1: -7.966 kcal/mol
  • Pose 2: -7.938 kcal/mol
  • Pose 3: -7.926 kcal/mol
  • Pose 4: -7.87 kcal/mol
  • Pose 5: -7.759 kcal/mol
  • Pose 6: -7.72 kcal/mol
  • Pose 7: -7.593 kcal/mol
  • Pose 8: -7.397 kcal/mol
  • Pose 9: -7.201 kcal/mol
CHEMBL3900683_dpp4
Energy Plot
RMSD Scatter Plot