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

Docking Result

CHEMBL3330063_dpp4

Atoms: 225
Models: 9
Best Energy: -7.513 kcal/mol

Binding Energies:
  • Pose 1: -7.513 kcal/mol
  • Pose 2: -7.376 kcal/mol
  • Pose 3: -7.372 kcal/mol
  • Pose 4: -7.26 kcal/mol
  • Pose 5: -7.233 kcal/mol
  • Pose 6: -7.226 kcal/mol
  • Pose 7: -7.202 kcal/mol
  • Pose 8: -7.083 kcal/mol
  • Pose 9: -6.96 kcal/mol
CHEMBL3330063_dpp4
Energy Plot
RMSD Scatter Plot