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

Docking Result

CHEMBL1951422_dpp4

Atoms: 351
Models: 9
Best Energy: -9.01 kcal/mol

Binding Energies:
  • Pose 1: -9.01 kcal/mol
  • Pose 2: -8.906 kcal/mol
  • Pose 3: -8.805 kcal/mol
  • Pose 4: -8.726 kcal/mol
  • Pose 5: -8.62 kcal/mol
  • Pose 6: -8.593 kcal/mol
  • Pose 7: -8.592 kcal/mol
  • Pose 8: -8.506 kcal/mol
  • Pose 9: -8.476 kcal/mol
CHEMBL1951422_dpp4
Energy Plot
RMSD Scatter Plot