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

Docking Result

CHEMBL6191350_dpp4

Atoms: 261
Models: 9
Best Energy: -8.476 kcal/mol

Binding Energies:
  • Pose 1: -8.476 kcal/mol
  • Pose 2: -8.324 kcal/mol
  • Pose 3: -8.092 kcal/mol
  • Pose 4: -8.046 kcal/mol
  • Pose 5: -7.826 kcal/mol
  • Pose 6: -7.809 kcal/mol
  • Pose 7: -7.706 kcal/mol
  • Pose 8: -7.476 kcal/mol
  • Pose 9: -7.218 kcal/mol
CHEMBL6191350_dpp4
Energy Plot
RMSD Scatter Plot