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

Docking Result

CHEMBL5963560_dpp4

Atoms: 297
Models: 9
Best Energy: -9.766 kcal/mol

Binding Energies:
  • Pose 1: -9.766 kcal/mol
  • Pose 2: -9.748 kcal/mol
  • Pose 3: -9.74 kcal/mol
  • Pose 4: -9.31 kcal/mol
  • Pose 5: -9.236 kcal/mol
  • Pose 6: -9.217 kcal/mol
  • Pose 7: -9.173 kcal/mol
  • Pose 8: -9.039 kcal/mol
  • Pose 9: -8.834 kcal/mol
CHEMBL5963560_dpp4
Energy Plot
RMSD Scatter Plot