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

Docking Result

CHEMBL3617973_dpp4

Atoms: 297
Models: 9
Best Energy: -8.847 kcal/mol

Binding Energies:
  • Pose 1: -8.847 kcal/mol
  • Pose 2: -8.337 kcal/mol
  • Pose 3: -8.145 kcal/mol
  • Pose 4: -8.109 kcal/mol
  • Pose 5: -7.956 kcal/mol
  • Pose 6: -7.948 kcal/mol
  • Pose 7: -7.921 kcal/mol
  • Pose 8: -7.878 kcal/mol
  • Pose 9: -7.867 kcal/mol
CHEMBL3617973_dpp4
Energy Plot
RMSD Scatter Plot