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

Docking Result

CHEMBL184986_dpp4

Atoms: 189
Models: 9
Best Energy: -7.004 kcal/mol

Binding Energies:
  • Pose 1: -7.004 kcal/mol
  • Pose 2: -6.932 kcal/mol
  • Pose 3: -6.552 kcal/mol
  • Pose 4: -6.392 kcal/mol
  • Pose 5: -6.242 kcal/mol
  • Pose 6: -6.23 kcal/mol
  • Pose 7: -6.213 kcal/mol
  • Pose 8: -6.117 kcal/mol
  • Pose 9: -6.042 kcal/mol
CHEMBL184986_dpp4
Energy Plot
RMSD Scatter Plot