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

Docking Result

CHEMBL250284_dpp4

Atoms: 342
Models: 9
Best Energy: -9.574 kcal/mol

Binding Energies:
  • Pose 1: -9.574 kcal/mol
  • Pose 2: -9.376 kcal/mol
  • Pose 3: -9.219 kcal/mol
  • Pose 4: -9.201 kcal/mol
  • Pose 5: -9.182 kcal/mol
  • Pose 6: -9.148 kcal/mol
  • Pose 7: -8.803 kcal/mol
  • Pose 8: -8.67 kcal/mol
  • Pose 9: -8.637 kcal/mol
CHEMBL250284_dpp4
Energy Plot
RMSD Scatter Plot