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

Docking Result

CHEMBL2346929_dpp4

Atoms: 315
Models: 9
Best Energy: -8.398 kcal/mol

Binding Energies:
  • Pose 1: -8.398 kcal/mol
  • Pose 2: -8.222 kcal/mol
  • Pose 3: -8.051 kcal/mol
  • Pose 4: -7.982 kcal/mol
  • Pose 5: -7.86 kcal/mol
  • Pose 6: -7.835 kcal/mol
  • Pose 7: -7.735 kcal/mol
  • Pose 8: -7.621 kcal/mol
  • Pose 9: -7.579 kcal/mol
CHEMBL2346929_dpp4
Energy Plot
RMSD Scatter Plot