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

Docking Result

CHEMBL3233846_dpp4

Atoms: 198
Models: 9
Best Energy: -7.817 kcal/mol

Binding Energies:
  • Pose 1: -7.817 kcal/mol
  • Pose 2: -7.452 kcal/mol
  • Pose 3: -7.212 kcal/mol
  • Pose 4: -7.209 kcal/mol
  • Pose 5: -7.039 kcal/mol
  • Pose 6: -6.935 kcal/mol
  • Pose 7: -6.787 kcal/mol
  • Pose 8: -6.665 kcal/mol
  • Pose 9: -6.577 kcal/mol
CHEMBL3233846_dpp4
Energy Plot
RMSD Scatter Plot