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

Docking Result

CHEMBL6029701_dpp4

Atoms: 342
Models: 9
Best Energy: -9.166 kcal/mol

Binding Energies:
  • Pose 1: -9.166 kcal/mol
  • Pose 2: -8.708 kcal/mol
  • Pose 3: -8.552 kcal/mol
  • Pose 4: -8.537 kcal/mol
  • Pose 5: -8.49 kcal/mol
  • Pose 6: -8.297 kcal/mol
  • Pose 7: -8.293 kcal/mol
  • Pose 8: -8.22 kcal/mol
  • Pose 9: -8.157 kcal/mol
CHEMBL6029701_dpp4
Energy Plot
RMSD Scatter Plot