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

Docking Result

CHEMBL4468423_dpp4

Atoms: 297
Models: 9
Best Energy: -8.326 kcal/mol

Binding Energies:
  • Pose 1: -8.326 kcal/mol
  • Pose 2: -7.662 kcal/mol
  • Pose 3: -7.649 kcal/mol
  • Pose 4: -7.616 kcal/mol
  • Pose 5: -7.517 kcal/mol
  • Pose 6: -7.483 kcal/mol
  • Pose 7: -7.387 kcal/mol
  • Pose 8: -7.377 kcal/mol
  • Pose 9: -7.362 kcal/mol
CHEMBL4468423_dpp4
Energy Plot
RMSD Scatter Plot