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

Docking Result

CHEMBL4854865_dpp4

Atoms: 405
Models: 9
Best Energy: -8.331 kcal/mol

Binding Energies:
  • Pose 1: -8.331 kcal/mol
  • Pose 2: -7.889 kcal/mol
  • Pose 3: -7.661 kcal/mol
  • Pose 4: -7.661 kcal/mol
  • Pose 5: -7.637 kcal/mol
  • Pose 6: -7.61 kcal/mol
  • Pose 7: -7.537 kcal/mol
  • Pose 8: -7.511 kcal/mol
  • Pose 9: -7.502 kcal/mol
CHEMBL4854865_dpp4
Energy Plot
RMSD Scatter Plot