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

Docking Result

CHEMBL328795_dpp4

Atoms: 153
Models: 9
Best Energy: -5.439 kcal/mol

Binding Energies:
  • Pose 1: -5.439 kcal/mol
  • Pose 2: -5.363 kcal/mol
  • Pose 3: -5.293 kcal/mol
  • Pose 4: -5.219 kcal/mol
  • Pose 5: -4.981 kcal/mol
  • Pose 6: -4.95 kcal/mol
  • Pose 7: -4.931 kcal/mol
  • Pose 8: -4.891 kcal/mol
  • Pose 9: -4.64 kcal/mol
CHEMBL328795_dpp4
Energy Plot
RMSD Scatter Plot