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

Docking Result

CHEMBL479983_dpp4

Atoms: 216
Models: 9
Best Energy: -7.576 kcal/mol

Binding Energies:
  • Pose 1: -7.576 kcal/mol
  • Pose 2: -7.513 kcal/mol
  • Pose 3: -6.996 kcal/mol
  • Pose 4: -6.936 kcal/mol
  • Pose 5: -6.909 kcal/mol
  • Pose 6: -6.884 kcal/mol
  • Pose 7: -6.785 kcal/mol
  • Pose 8: -6.714 kcal/mol
  • Pose 9: -6.702 kcal/mol
CHEMBL479983_dpp4
Energy Plot
RMSD Scatter Plot