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

Docking Result

CHEMBL179996_dpp4

Atoms: 162
Models: 9
Best Energy: -7.378 kcal/mol

Binding Energies:
  • Pose 1: -7.378 kcal/mol
  • Pose 2: -6.675 kcal/mol
  • Pose 3: -6.489 kcal/mol
  • Pose 4: -6.454 kcal/mol
  • Pose 5: -6.413 kcal/mol
  • Pose 6: -6.405 kcal/mol
  • Pose 7: -6.299 kcal/mol
  • Pose 8: -6.094 kcal/mol
  • Pose 9: -6.048 kcal/mol
CHEMBL179996_dpp4
Energy Plot
RMSD Scatter Plot