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

Docking Result

CHEMBL474560_dpp4

Atoms: 270
Models: 9
Best Energy: -7.83 kcal/mol

Binding Energies:
  • Pose 1: -7.83 kcal/mol
  • Pose 2: -7.342 kcal/mol
  • Pose 3: -7.239 kcal/mol
  • Pose 4: -7.167 kcal/mol
  • Pose 5: -6.937 kcal/mol
  • Pose 6: -6.733 kcal/mol
  • Pose 7: -6.611 kcal/mol
  • Pose 8: -6.604 kcal/mol
  • Pose 9: -6.53 kcal/mol
CHEMBL474560_dpp4
Energy Plot
RMSD Scatter Plot