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

Docking Result

CHEMBL234045_dpp4

Atoms: 225
Models: 9
Best Energy: -7.228 kcal/mol

Binding Energies:
  • Pose 1: -7.228 kcal/mol
  • Pose 2: -7.226 kcal/mol
  • Pose 3: -7.01 kcal/mol
  • Pose 4: -6.95 kcal/mol
  • Pose 5: -6.767 kcal/mol
  • Pose 6: -6.619 kcal/mol
  • Pose 7: -6.574 kcal/mol
  • Pose 8: -6.541 kcal/mol
  • Pose 9: -6.54 kcal/mol
CHEMBL234045_dpp4
Energy Plot
RMSD Scatter Plot