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

Docking Result

CHEMBL4854306_dpp4

Atoms: 270
Models: 9
Best Energy: -8.042 kcal/mol

Binding Energies:
  • Pose 1: -8.042 kcal/mol
  • Pose 2: -7.724 kcal/mol
  • Pose 3: -7.707 kcal/mol
  • Pose 4: -7.645 kcal/mol
  • Pose 5: -7.627 kcal/mol
  • Pose 6: -7.589 kcal/mol
  • Pose 7: -7.559 kcal/mol
  • Pose 8: -7.492 kcal/mol
  • Pose 9: -7.414 kcal/mol
CHEMBL4854306_dpp4
Energy Plot
RMSD Scatter Plot