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

Docking Result

CHEMBL4212894_dpp4

Atoms: 225
Models: 9
Best Energy: -7.837 kcal/mol

Binding Energies:
  • Pose 1: -7.837 kcal/mol
  • Pose 2: -7.407 kcal/mol
  • Pose 3: -7.169 kcal/mol
  • Pose 4: -7.161 kcal/mol
  • Pose 5: -7.151 kcal/mol
  • Pose 6: -7.133 kcal/mol
  • Pose 7: -6.952 kcal/mol
  • Pose 8: -6.86 kcal/mol
  • Pose 9: -6.776 kcal/mol
CHEMBL4212894_dpp4
Energy Plot
RMSD Scatter Plot