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

Docking Result

CHEMBL3580786_dpp4

Atoms: 297
Models: 9
Best Energy: -7.346 kcal/mol

Binding Energies:
  • Pose 1: -7.346 kcal/mol
  • Pose 2: -7.145 kcal/mol
  • Pose 3: -7.035 kcal/mol
  • Pose 4: -6.961 kcal/mol
  • Pose 5: -6.868 kcal/mol
  • Pose 6: -6.783 kcal/mol
  • Pose 7: -6.744 kcal/mol
  • Pose 8: -6.627 kcal/mol
  • Pose 9: -6.551 kcal/mol
CHEMBL3580786_dpp4
Energy Plot
RMSD Scatter Plot