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

Docking Result

CHEMBL231011_dpp4

Atoms: 261
Models: 9
Best Energy: -5.429 kcal/mol

Binding Energies:
  • Pose 1: -5.429 kcal/mol
  • Pose 2: -5.303 kcal/mol
  • Pose 3: -5.219 kcal/mol
  • Pose 4: -5.171 kcal/mol
  • Pose 5: -5.077 kcal/mol
  • Pose 6: -5.033 kcal/mol
  • Pose 7: -4.973 kcal/mol
  • Pose 8: -4.945 kcal/mol
  • Pose 9: -4.892 kcal/mol
CHEMBL231011_dpp4
Energy Plot
RMSD Scatter Plot