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

Docking Result

CHEMBL1688526_dpp4

Atoms: 234
Models: 9
Best Energy: -7.893 kcal/mol

Binding Energies:
  • Pose 1: -7.893 kcal/mol
  • Pose 2: -6.81 kcal/mol
  • Pose 3: -6.653 kcal/mol
  • Pose 4: -6.432 kcal/mol
  • Pose 5: -6.422 kcal/mol
  • Pose 6: -6.379 kcal/mol
  • Pose 7: -6.254 kcal/mol
  • Pose 8: -6.226 kcal/mol
  • Pose 9: -6.104 kcal/mol
CHEMBL1688526_dpp4
Energy Plot
RMSD Scatter Plot