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

Docking Result

CHEMBL1082996_dpp4

Atoms: 261
Models: 9
Best Energy: -7.697 kcal/mol

Binding Energies:
  • Pose 1: -7.697 kcal/mol
  • Pose 2: -7.265 kcal/mol
  • Pose 3: -7.067 kcal/mol
  • Pose 4: -7.01 kcal/mol
  • Pose 5: -6.959 kcal/mol
  • Pose 6: -6.896 kcal/mol
  • Pose 7: -6.629 kcal/mol
  • Pose 8: -6.569 kcal/mol
  • Pose 9: -6.516 kcal/mol
CHEMBL1082996_dpp4
Energy Plot
RMSD Scatter Plot