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

Docking Result

CHEMBL3942715_dpp4

Atoms: 252
Models: 9
Best Energy: -9.757 kcal/mol

Binding Energies:
  • Pose 1: -9.757 kcal/mol
  • Pose 2: -8.851 kcal/mol
  • Pose 3: -8.529 kcal/mol
  • Pose 4: -8.357 kcal/mol
  • Pose 5: -8.305 kcal/mol
  • Pose 6: -8.174 kcal/mol
  • Pose 7: -8.029 kcal/mol
  • Pose 8: -7.923 kcal/mol
  • Pose 9: -7.757 kcal/mol
CHEMBL3942715_dpp4
Energy Plot
RMSD Scatter Plot