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

Docking Result

CHEMBL1688411_dpp4

Atoms: 198
Models: 9
Best Energy: -7.431 kcal/mol

Binding Energies:
  • Pose 1: -7.431 kcal/mol
  • Pose 2: -7.317 kcal/mol
  • Pose 3: -7.149 kcal/mol
  • Pose 4: -6.952 kcal/mol
  • Pose 5: -6.87 kcal/mol
  • Pose 6: -6.86 kcal/mol
  • Pose 7: -6.856 kcal/mol
  • Pose 8: -6.839 kcal/mol
  • Pose 9: -6.603 kcal/mol
CHEMBL1688411_dpp4
Energy Plot
RMSD Scatter Plot