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

Docking Result

CHEMBL4072939_dpp4

Atoms: 288
Models: 9
Best Energy: -7.936 kcal/mol

Binding Energies:
  • Pose 1: -7.936 kcal/mol
  • Pose 2: -7.741 kcal/mol
  • Pose 3: -7.444 kcal/mol
  • Pose 4: -7.267 kcal/mol
  • Pose 5: -7.242 kcal/mol
  • Pose 6: -6.912 kcal/mol
  • Pose 7: -6.855 kcal/mol
  • Pose 8: -6.788 kcal/mol
  • Pose 9: -6.73 kcal/mol
CHEMBL4072939_dpp4
Energy Plot
RMSD Scatter Plot