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

Docking Result

CHEMBL237067_dpp4

Atoms: 315
Models: 9
Best Energy: -9.069 kcal/mol

Binding Energies:
  • Pose 1: -9.069 kcal/mol
  • Pose 2: -8.824 kcal/mol
  • Pose 3: -8.659 kcal/mol
  • Pose 4: -8.386 kcal/mol
  • Pose 5: -8.371 kcal/mol
  • Pose 6: -8.313 kcal/mol
  • Pose 7: -8.19 kcal/mol
  • Pose 8: -8.041 kcal/mol
  • Pose 9: -7.992 kcal/mol
CHEMBL237067_dpp4
Energy Plot
RMSD Scatter Plot