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

Docking Result

CHEMBL3084935_dpp4

Atoms: 261
Models: 9
Best Energy: -7.834 kcal/mol

Binding Energies:
  • Pose 1: -7.834 kcal/mol
  • Pose 2: -7.152 kcal/mol
  • Pose 3: -7.131 kcal/mol
  • Pose 4: -7.012 kcal/mol
  • Pose 5: -6.989 kcal/mol
  • Pose 6: -6.96 kcal/mol
  • Pose 7: -6.891 kcal/mol
  • Pose 8: -6.795 kcal/mol
  • Pose 9: -6.773 kcal/mol
CHEMBL3084935_dpp4
Energy Plot
RMSD Scatter Plot