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

Docking Result

CHEMBL399405_dpp4

Atoms: 243
Models: 9
Best Energy: -7.539 kcal/mol

Binding Energies:
  • Pose 1: -7.539 kcal/mol
  • Pose 2: -7.305 kcal/mol
  • Pose 3: -7.091 kcal/mol
  • Pose 4: -6.991 kcal/mol
  • Pose 5: -6.907 kcal/mol
  • Pose 6: -6.893 kcal/mol
  • Pose 7: -6.86 kcal/mol
  • Pose 8: -6.737 kcal/mol
  • Pose 9: -6.405 kcal/mol
CHEMBL399405_dpp4
Energy Plot
RMSD Scatter Plot