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

Docking Result

CHEMBL591289_dpp4

Atoms: 252
Models: 9
Best Energy: -7.535 kcal/mol

Binding Energies:
  • Pose 1: -7.535 kcal/mol
  • Pose 2: -7.165 kcal/mol
  • Pose 3: -7.09 kcal/mol
  • Pose 4: -7.015 kcal/mol
  • Pose 5: -6.917 kcal/mol
  • Pose 6: -6.795 kcal/mol
  • Pose 7: -6.776 kcal/mol
  • Pose 8: -6.68 kcal/mol
  • Pose 9: -6.592 kcal/mol
CHEMBL591289_dpp4
Energy Plot
RMSD Scatter Plot