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

Docking Result

CHEMBL361863_dpp4

Atoms: 162
Models: 9
Best Energy: -6.413 kcal/mol

Binding Energies:
  • Pose 1: -6.413 kcal/mol
  • Pose 2: -6.276 kcal/mol
  • Pose 3: -6.158 kcal/mol
  • Pose 4: -5.992 kcal/mol
  • Pose 5: -5.98 kcal/mol
  • Pose 6: -5.832 kcal/mol
  • Pose 7: -5.805 kcal/mol
  • Pose 8: -5.789 kcal/mol
  • Pose 9: -5.744 kcal/mol
CHEMBL361863_dpp4
Energy Plot
RMSD Scatter Plot