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

Docking Result

CHEMBL227464_dpp4

Atoms: 270
Models: 9
Best Energy: -8.511 kcal/mol

Binding Energies:
  • Pose 1: -8.511 kcal/mol
  • Pose 2: -8.409 kcal/mol
  • Pose 3: -8.364 kcal/mol
  • Pose 4: -8.138 kcal/mol
  • Pose 5: -7.875 kcal/mol
  • Pose 6: -7.706 kcal/mol
  • Pose 7: -7.639 kcal/mol
  • Pose 8: -7.524 kcal/mol
  • Pose 9: -7.372 kcal/mol
CHEMBL227464_dpp4
Energy Plot
RMSD Scatter Plot