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

Docking Result

CHEMBL1683131_dpp4

Atoms: 225
Models: 9
Best Energy: -8.561 kcal/mol

Binding Energies:
  • Pose 1: -8.561 kcal/mol
  • Pose 2: -8.127 kcal/mol
  • Pose 3: -7.789 kcal/mol
  • Pose 4: -7.772 kcal/mol
  • Pose 5: -7.704 kcal/mol
  • Pose 6: -7.619 kcal/mol
  • Pose 7: -7.439 kcal/mol
  • Pose 8: -7.39 kcal/mol
  • Pose 9: -7.348 kcal/mol
CHEMBL1683131_dpp4
Energy Plot
RMSD Scatter Plot