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

Docking Result

CHEMBL1650436_dpp4

Atoms: 252
Models: 9
Best Energy: -7.617 kcal/mol

Binding Energies:
  • Pose 1: -7.617 kcal/mol
  • Pose 2: -7.367 kcal/mol
  • Pose 3: -7.35 kcal/mol
  • Pose 4: -7.312 kcal/mol
  • Pose 5: -7.303 kcal/mol
  • Pose 6: -7.28 kcal/mol
  • Pose 7: -7.11 kcal/mol
  • Pose 8: -7.049 kcal/mol
  • Pose 9: -6.934 kcal/mol
CHEMBL1650436_dpp4
Energy Plot
RMSD Scatter Plot