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

Docking Result

CHEMBL6039540_dpp4

Atoms: 207
Models: 9
Best Energy: -8.009 kcal/mol

Binding Energies:
  • Pose 1: -8.009 kcal/mol
  • Pose 2: -7.918 kcal/mol
  • Pose 3: -7.687 kcal/mol
  • Pose 4: -7.377 kcal/mol
  • Pose 5: -7.182 kcal/mol
  • Pose 6: -6.911 kcal/mol
  • Pose 7: -6.79 kcal/mol
  • Pose 8: -6.637 kcal/mol
  • Pose 9: -6.515 kcal/mol
CHEMBL6039540_dpp4
Energy Plot
RMSD Scatter Plot