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

Docking Result

CHEMBL3632867_dpp4

Atoms: 171
Models: 9
Best Energy: -6.522 kcal/mol

Binding Energies:
  • Pose 1: -6.522 kcal/mol
  • Pose 2: -6.438 kcal/mol
  • Pose 3: -6.097 kcal/mol
  • Pose 4: -5.917 kcal/mol
  • Pose 5: -5.877 kcal/mol
  • Pose 6: -5.859 kcal/mol
  • Pose 7: -5.806 kcal/mol
  • Pose 8: -5.78 kcal/mol
  • Pose 9: -5.777 kcal/mol
CHEMBL3632867_dpp4
Energy Plot
RMSD Scatter Plot