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

Docking Result

CHEMBL376359_dpp4

Atoms: 243
Models: 9
Best Energy: -7.84 kcal/mol

Binding Energies:
  • Pose 1: -7.84 kcal/mol
  • Pose 2: -7.831 kcal/mol
  • Pose 3: -7.577 kcal/mol
  • Pose 4: -7.48 kcal/mol
  • Pose 5: -7.28 kcal/mol
  • Pose 6: -7.277 kcal/mol
  • Pose 7: -7.242 kcal/mol
  • Pose 8: -7.197 kcal/mol
  • Pose 9: -7.186 kcal/mol
CHEMBL376359_dpp4
Energy Plot
RMSD Scatter Plot