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

Docking Result

CHEMBL514623_dpp4

Atoms: 234
Models: 9
Best Energy: -7.595 kcal/mol

Binding Energies:
  • Pose 1: -7.595 kcal/mol
  • Pose 2: -7.52 kcal/mol
  • Pose 3: -7.508 kcal/mol
  • Pose 4: -7.5 kcal/mol
  • Pose 5: -7.37 kcal/mol
  • Pose 6: -7.136 kcal/mol
  • Pose 7: -7.116 kcal/mol
  • Pose 8: -7.097 kcal/mol
  • Pose 9: -6.916 kcal/mol
CHEMBL514623_dpp4
Energy Plot
RMSD Scatter Plot