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

Docking Result

CHEMBL1683101_dpp4

Atoms: 243
Models: 9
Best Energy: -7.708 kcal/mol

Binding Energies:
  • Pose 1: -7.708 kcal/mol
  • Pose 2: -7.664 kcal/mol
  • Pose 3: -7.57 kcal/mol
  • Pose 4: -7.323 kcal/mol
  • Pose 5: -7.258 kcal/mol
  • Pose 6: -7.257 kcal/mol
  • Pose 7: -7.229 kcal/mol
  • Pose 8: -7.185 kcal/mol
  • Pose 9: -7.089 kcal/mol
CHEMBL1683101_dpp4
Energy Plot
RMSD Scatter Plot