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

Docking Result

CHEMBL3580778_dpp4

Atoms: 297
Models: 9
Best Energy: -7.032 kcal/mol

Binding Energies:
  • Pose 1: -7.032 kcal/mol
  • Pose 2: -6.631 kcal/mol
  • Pose 3: -6.566 kcal/mol
  • Pose 4: -6.549 kcal/mol
  • Pose 5: -6.39 kcal/mol
  • Pose 6: -6.352 kcal/mol
  • Pose 7: -6.242 kcal/mol
  • Pose 8: -6.242 kcal/mol
  • Pose 9: -6.229 kcal/mol
CHEMBL3580778_dpp4
Energy Plot
RMSD Scatter Plot