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

Docking Result

CHEMBL328794_dpp4

Atoms: 243
Models: 9
Best Energy: -7.876 kcal/mol

Binding Energies:
  • Pose 1: -7.876 kcal/mol
  • Pose 2: -7.81 kcal/mol
  • Pose 3: -7.794 kcal/mol
  • Pose 4: -7.582 kcal/mol
  • Pose 5: -7.523 kcal/mol
  • Pose 6: -7.349 kcal/mol
  • Pose 7: -7.285 kcal/mol
  • Pose 8: -7.219 kcal/mol
  • Pose 9: -7.214 kcal/mol
CHEMBL328794_dpp4
Energy Plot
RMSD Scatter Plot