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

Docking Result

CHEMBL469679_dpp4

Atoms: 207
Models: 9
Best Energy: -7.238 kcal/mol

Binding Energies:
  • Pose 1: -7.238 kcal/mol
  • Pose 2: -7.162 kcal/mol
  • Pose 3: -7.127 kcal/mol
  • Pose 4: -7.108 kcal/mol
  • Pose 5: -7.027 kcal/mol
  • Pose 6: -6.847 kcal/mol
  • Pose 7: -6.834 kcal/mol
  • Pose 8: -6.77 kcal/mol
  • Pose 9: -6.616 kcal/mol
CHEMBL469679_dpp4
Energy Plot
RMSD Scatter Plot