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

Docking Result

CHEMBL17041_dpp4

Atoms: 135
Models: 9
Best Energy: -5.381 kcal/mol

Binding Energies:
  • Pose 1: -5.381 kcal/mol
  • Pose 2: -5.305 kcal/mol
  • Pose 3: -5.241 kcal/mol
  • Pose 4: -5.088 kcal/mol
  • Pose 5: -5.078 kcal/mol
  • Pose 6: -5.016 kcal/mol
  • Pose 7: -4.99 kcal/mol
  • Pose 8: -4.961 kcal/mol
  • Pose 9: -4.813 kcal/mol
CHEMBL17041_dpp4
Energy Plot
RMSD Scatter Plot