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

Docking Result

CHEMBL3913618_dpp4

Atoms: 297
Models: 9
Best Energy: -7.531 kcal/mol

Binding Energies:
  • Pose 1: -7.531 kcal/mol
  • Pose 2: -7.519 kcal/mol
  • Pose 3: -7.488 kcal/mol
  • Pose 4: -7.473 kcal/mol
  • Pose 5: -7.455 kcal/mol
  • Pose 6: -7.426 kcal/mol
  • Pose 7: -7.391 kcal/mol
  • Pose 8: -7.361 kcal/mol
  • Pose 9: -7.295 kcal/mol
CHEMBL3913618_dpp4
Energy Plot
RMSD Scatter Plot