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

Docking Result

CHEMBL3644455_dpp4

Atoms: 288
Models: 9
Best Energy: -7.549 kcal/mol

Binding Energies:
  • Pose 1: -7.549 kcal/mol
  • Pose 2: -7.344 kcal/mol
  • Pose 3: -7.322 kcal/mol
  • Pose 4: -7.222 kcal/mol
  • Pose 5: -7.168 kcal/mol
  • Pose 6: -7.067 kcal/mol
  • Pose 7: -7.016 kcal/mol
  • Pose 8: -6.944 kcal/mol
  • Pose 9: -6.935 kcal/mol
CHEMBL3644455_dpp4
Energy Plot
RMSD Scatter Plot