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

Docking Result

CHEMBL437965_dpp4

Atoms: 405
Models: 9
Best Energy: -8.764 kcal/mol

Binding Energies:
  • Pose 1: -8.764 kcal/mol
  • Pose 2: -8.574 kcal/mol
  • Pose 3: -8.567 kcal/mol
  • Pose 4: -8.474 kcal/mol
  • Pose 5: -8.166 kcal/mol
  • Pose 6: -8.094 kcal/mol
  • Pose 7: -7.996 kcal/mol
  • Pose 8: -7.726 kcal/mol
  • Pose 9: -7.587 kcal/mol
CHEMBL437965_dpp4
Energy Plot
RMSD Scatter Plot