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

Docking Result

CHEMBL3357765_dpp4

Atoms: 297
Models: 9
Best Energy: -8.307 kcal/mol

Binding Energies:
  • Pose 1: -8.307 kcal/mol
  • Pose 2: -8.2 kcal/mol
  • Pose 3: -8.189 kcal/mol
  • Pose 4: -8.157 kcal/mol
  • Pose 5: -8.145 kcal/mol
  • Pose 6: -8.083 kcal/mol
  • Pose 7: -8.051 kcal/mol
  • Pose 8: -7.953 kcal/mol
  • Pose 9: -7.731 kcal/mol
CHEMBL3357765_dpp4
Energy Plot
RMSD Scatter Plot