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

Docking Result

CHEMBL6164347_dpp4

Atoms: 333
Models: 9
Best Energy: -8.723 kcal/mol

Binding Energies:
  • Pose 1: -8.723 kcal/mol
  • Pose 2: -8.683 kcal/mol
  • Pose 3: -8.554 kcal/mol
  • Pose 4: -8.534 kcal/mol
  • Pose 5: -8.519 kcal/mol
  • Pose 6: -8.271 kcal/mol
  • Pose 7: -8.139 kcal/mol
  • Pose 8: -8.079 kcal/mol
  • Pose 9: -7.86 kcal/mol
CHEMBL6164347_dpp4
Energy Plot
RMSD Scatter Plot