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

Docking Result

CHEMBL2178973_dpp4

Atoms: 315
Models: 9
Best Energy: -8.659 kcal/mol

Binding Energies:
  • Pose 1: -8.659 kcal/mol
  • Pose 2: -8.575 kcal/mol
  • Pose 3: -8.32 kcal/mol
  • Pose 4: -8.292 kcal/mol
  • Pose 5: -8.277 kcal/mol
  • Pose 6: -8.184 kcal/mol
  • Pose 7: -8.091 kcal/mol
  • Pose 8: -8.078 kcal/mol
  • Pose 9: -8.067 kcal/mol
CHEMBL2178973_dpp4
Energy Plot
RMSD Scatter Plot