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

Docking Result

CHEMBL5843472_dpp4

Atoms: 342
Models: 9
Best Energy: -10.184 kcal/mol

Binding Energies:
  • Pose 1: -10.184 kcal/mol
  • Pose 2: -9.91 kcal/mol
  • Pose 3: -9.803 kcal/mol
  • Pose 4: -9.268 kcal/mol
  • Pose 5: -9.212 kcal/mol
  • Pose 6: -9.186 kcal/mol
  • Pose 7: -9.098 kcal/mol
  • Pose 8: -9.082 kcal/mol
  • Pose 9: -8.999 kcal/mol
CHEMBL5843472_dpp4
Energy Plot
RMSD Scatter Plot