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

Docking Result

CHEMBL244009_dpp4

Atoms: 261
Models: 9
Best Energy: -7.004 kcal/mol

Binding Energies:
  • Pose 1: -7.004 kcal/mol
  • Pose 2: -6.937 kcal/mol
  • Pose 3: -6.907 kcal/mol
  • Pose 4: -6.841 kcal/mol
  • Pose 5: -6.777 kcal/mol
  • Pose 6: -6.773 kcal/mol
  • Pose 7: -6.747 kcal/mol
  • Pose 8: -6.738 kcal/mol
  • Pose 9: -6.594 kcal/mol
CHEMBL244009_dpp4
Energy Plot
RMSD Scatter Plot