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

Docking Result

CHEMBL4874467_dpp4

Atoms: 333
Models: 9
Best Energy: -8.42 kcal/mol

Binding Energies:
  • Pose 1: -8.42 kcal/mol
  • Pose 2: -8.246 kcal/mol
  • Pose 3: -8.237 kcal/mol
  • Pose 4: -8.186 kcal/mol
  • Pose 5: -7.878 kcal/mol
  • Pose 6: -7.688 kcal/mol
  • Pose 7: -7.677 kcal/mol
  • Pose 8: -7.278 kcal/mol
  • Pose 9: -7.278 kcal/mol
CHEMBL4874467_dpp4
Energy Plot
RMSD Scatter Plot