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

Docking Result

CHEMBL6091879_dpp4

Atoms: 324
Models: 9
Best Energy: -9.478 kcal/mol

Binding Energies:
  • Pose 1: -9.478 kcal/mol
  • Pose 2: -9.454 kcal/mol
  • Pose 3: -9.249 kcal/mol
  • Pose 4: -9.247 kcal/mol
  • Pose 5: -9.246 kcal/mol
  • Pose 6: -9.147 kcal/mol
  • Pose 7: -9.114 kcal/mol
  • Pose 8: -9.041 kcal/mol
  • Pose 9: -8.867 kcal/mol
CHEMBL6091879_dpp4
Energy Plot
RMSD Scatter Plot