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

Docking Result

CHEMBL3329625_dpp4

Atoms: 270
Models: 9
Best Energy: -7.687 kcal/mol

Binding Energies:
  • Pose 1: -7.687 kcal/mol
  • Pose 2: -7.639 kcal/mol
  • Pose 3: -7.626 kcal/mol
  • Pose 4: -7.499 kcal/mol
  • Pose 5: -7.356 kcal/mol
  • Pose 6: -7.348 kcal/mol
  • Pose 7: -7.332 kcal/mol
  • Pose 8: -7.327 kcal/mol
  • Pose 9: -7.277 kcal/mol
CHEMBL3329625_dpp4
Energy Plot
RMSD Scatter Plot