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

Docking Result

CHEMBL255864_dpp4

Atoms: 324
Models: 9
Best Energy: -8.75 kcal/mol

Binding Energies:
  • Pose 1: -8.75 kcal/mol
  • Pose 2: -8.475 kcal/mol
  • Pose 3: -8.386 kcal/mol
  • Pose 4: -8.343 kcal/mol
  • Pose 5: -8.327 kcal/mol
  • Pose 6: -8.266 kcal/mol
  • Pose 7: -8.174 kcal/mol
  • Pose 8: -8.134 kcal/mol
  • Pose 9: -8.11 kcal/mol
CHEMBL255864_dpp4
Energy Plot
RMSD Scatter Plot