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

Docking Result

CHEMBL3645493_dpp4

Atoms: 297
Models: 9
Best Energy: -8.365 kcal/mol

Binding Energies:
  • Pose 1: -8.365 kcal/mol
  • Pose 2: -8.17 kcal/mol
  • Pose 3: -8.091 kcal/mol
  • Pose 4: -8.001 kcal/mol
  • Pose 5: -7.962 kcal/mol
  • Pose 6: -7.941 kcal/mol
  • Pose 7: -7.925 kcal/mol
  • Pose 8: -7.916 kcal/mol
  • Pose 9: -7.735 kcal/mol
CHEMBL3645493_dpp4
Energy Plot
RMSD Scatter Plot