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

Docking Result

CHEMBL5994541_dpp4

Atoms: 136
Models: 8
Best Energy: -5.176 kcal/mol

Binding Energies:
  • Pose 1: -5.176 kcal/mol
  • Pose 2: -4.97 kcal/mol
  • Pose 3: -4.885 kcal/mol
  • Pose 4: -4.867 kcal/mol
  • Pose 5: -4.791 kcal/mol
  • Pose 6: -4.708 kcal/mol
  • Pose 7: -4.659 kcal/mol
  • Pose 8: -4.576 kcal/mol
CHEMBL5994541_dpp4
Energy Plot
RMSD Scatter Plot