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

Docking Result

CHEMBL6133793_dpp4

Atoms: 243
Models: 9
Best Energy: -7.904 kcal/mol

Binding Energies:
  • Pose 1: -7.904 kcal/mol
  • Pose 2: -7.802 kcal/mol
  • Pose 3: -7.762 kcal/mol
  • Pose 4: -7.674 kcal/mol
  • Pose 5: -7.563 kcal/mol
  • Pose 6: -7.536 kcal/mol
  • Pose 7: -7.161 kcal/mol
  • Pose 8: -7.117 kcal/mol
  • Pose 9: -7.046 kcal/mol
CHEMBL6133793_dpp4
Energy Plot
RMSD Scatter Plot