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

Docking Result

CHEMBL1085306_dpp4

Atoms: 243
Models: 9
Best Energy: -7.383 kcal/mol

Binding Energies:
  • Pose 1: -7.383 kcal/mol
  • Pose 2: -6.995 kcal/mol
  • Pose 3: -6.745 kcal/mol
  • Pose 4: -6.594 kcal/mol
  • Pose 5: -6.544 kcal/mol
  • Pose 6: -6.491 kcal/mol
  • Pose 7: -6.405 kcal/mol
  • Pose 8: -6.246 kcal/mol
  • Pose 9: -6.069 kcal/mol
CHEMBL1085306_dpp4
Energy Plot
RMSD Scatter Plot