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

Docking Result

CHEMBL3093916_dpp4

Atoms: 189
Models: 9
Best Energy: -7.202 kcal/mol

Binding Energies:
  • Pose 1: -7.202 kcal/mol
  • Pose 2: -7.05 kcal/mol
  • Pose 3: -7.041 kcal/mol
  • Pose 4: -7.001 kcal/mol
  • Pose 5: -6.809 kcal/mol
  • Pose 6: -6.752 kcal/mol
  • Pose 7: -6.642 kcal/mol
  • Pose 8: -6.538 kcal/mol
  • Pose 9: -6.512 kcal/mol
CHEMBL3093916_dpp4
Energy Plot
RMSD Scatter Plot