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

Docking Result

CHEMBL3735461_dpp4

Atoms: 324
Models: 9
Best Energy: -9.02 kcal/mol

Binding Energies:
  • Pose 1: -9.02 kcal/mol
  • Pose 2: -8.805 kcal/mol
  • Pose 3: -8.276 kcal/mol
  • Pose 4: -8.255 kcal/mol
  • Pose 5: -8.25 kcal/mol
  • Pose 6: -8.136 kcal/mol
  • Pose 7: -7.969 kcal/mol
  • Pose 8: -7.845 kcal/mol
  • Pose 9: -7.755 kcal/mol
CHEMBL3735461_dpp4
Energy Plot
RMSD Scatter Plot