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

Docking Result

CHEMBL4754461_dpp4

Atoms: 225
Models: 9
Best Energy: -8.129 kcal/mol

Binding Energies:
  • Pose 1: -8.129 kcal/mol
  • Pose 2: -7.568 kcal/mol
  • Pose 3: -7.396 kcal/mol
  • Pose 4: -7.392 kcal/mol
  • Pose 5: -7.248 kcal/mol
  • Pose 6: -7.221 kcal/mol
  • Pose 7: -7.106 kcal/mol
  • Pose 8: -7.072 kcal/mol
  • Pose 9: -6.881 kcal/mol
CHEMBL4754461_dpp4
Energy Plot
RMSD Scatter Plot