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

Docking Result

CHEMBL4649110_dpp4

Atoms: 306
Models: 9
Best Energy: -8.396 kcal/mol

Binding Energies:
  • Pose 1: -8.396 kcal/mol
  • Pose 2: -8.364 kcal/mol
  • Pose 3: -7.793 kcal/mol
  • Pose 4: -7.538 kcal/mol
  • Pose 5: -7.466 kcal/mol
  • Pose 6: -7.39 kcal/mol
  • Pose 7: -7.296 kcal/mol
  • Pose 8: -7.04 kcal/mol
  • Pose 9: -6.956 kcal/mol
CHEMBL4649110_dpp4
Energy Plot
RMSD Scatter Plot