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

Docking Result

CHEMBL3236105_dpp4

Atoms: 261
Models: 9
Best Energy: -7.929 kcal/mol

Binding Energies:
  • Pose 1: -7.929 kcal/mol
  • Pose 2: -7.457 kcal/mol
  • Pose 3: -7.242 kcal/mol
  • Pose 4: -7.219 kcal/mol
  • Pose 5: -7.208 kcal/mol
  • Pose 6: -7.087 kcal/mol
  • Pose 7: -6.911 kcal/mol
  • Pose 8: -6.905 kcal/mol
  • Pose 9: -6.88 kcal/mol
CHEMBL3236105_dpp4
Energy Plot
RMSD Scatter Plot