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

Docking Result

CHEMBL176202_dpp4

Atoms: 162
Models: 9
Best Energy: -6.683 kcal/mol

Binding Energies:
  • Pose 1: -6.683 kcal/mol
  • Pose 2: -6.603 kcal/mol
  • Pose 3: -6.369 kcal/mol
  • Pose 4: -6.258 kcal/mol
  • Pose 5: -6.228 kcal/mol
  • Pose 6: -6.19 kcal/mol
  • Pose 7: -6.009 kcal/mol
  • Pose 8: -5.918 kcal/mol
  • Pose 9: -5.837 kcal/mol
CHEMBL176202_dpp4
Energy Plot
RMSD Scatter Plot