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

Docking Result

CHEMBL4644314_dpp4

Atoms: 315
Models: 9
Best Energy: -8.386 kcal/mol

Binding Energies:
  • Pose 1: -8.386 kcal/mol
  • Pose 2: -8.135 kcal/mol
  • Pose 3: -8.112 kcal/mol
  • Pose 4: -7.882 kcal/mol
  • Pose 5: -7.812 kcal/mol
  • Pose 6: -7.57 kcal/mol
  • Pose 7: -7.482 kcal/mol
  • Pose 8: -7.446 kcal/mol
  • Pose 9: -7.302 kcal/mol
CHEMBL4644314_dpp4
Energy Plot
RMSD Scatter Plot