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

Docking Result

CHEMBL148954_dpp4

Atoms: 153
Models: 9
Best Energy: -4.672 kcal/mol

Binding Energies:
  • Pose 1: -4.672 kcal/mol
  • Pose 2: -4.57 kcal/mol
  • Pose 3: -4.535 kcal/mol
  • Pose 4: -4.527 kcal/mol
  • Pose 5: -4.483 kcal/mol
  • Pose 6: -4.26 kcal/mol
  • Pose 7: -4.243 kcal/mol
  • Pose 8: -4.239 kcal/mol
  • Pose 9: -4.207 kcal/mol
CHEMBL148954_dpp4
Energy Plot
RMSD Scatter Plot