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

Docking Result

CHEMBL2346921_dpp4

Atoms: 216
Models: 9
Best Energy: -6.836 kcal/mol

Binding Energies:
  • Pose 1: -6.836 kcal/mol
  • Pose 2: -6.803 kcal/mol
  • Pose 3: -6.645 kcal/mol
  • Pose 4: -6.48 kcal/mol
  • Pose 5: -6.469 kcal/mol
  • Pose 6: -6.346 kcal/mol
  • Pose 7: -6.271 kcal/mol
  • Pose 8: -6.063 kcal/mol
  • Pose 9: -6.042 kcal/mol
CHEMBL2346921_dpp4
Energy Plot
RMSD Scatter Plot