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

Docking Result

CHEMBL1779712_dpp4

Atoms: 279
Models: 9
Best Energy: -7.064 kcal/mol

Binding Energies:
  • Pose 1: -7.064 kcal/mol
  • Pose 2: -6.986 kcal/mol
  • Pose 3: -6.98 kcal/mol
  • Pose 4: -6.927 kcal/mol
  • Pose 5: -6.866 kcal/mol
  • Pose 6: -6.843 kcal/mol
  • Pose 7: -6.786 kcal/mol
  • Pose 8: -6.685 kcal/mol
  • Pose 9: -6.576 kcal/mol
CHEMBL1779712_dpp4
Energy Plot
RMSD Scatter Plot