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

Docking Result

CHEMBL2086613_dpp4

Atoms: 216
Models: 9
Best Energy: -7.289 kcal/mol

Binding Energies:
  • Pose 1: -7.289 kcal/mol
  • Pose 2: -7.214 kcal/mol
  • Pose 3: -7.016 kcal/mol
  • Pose 4: -6.973 kcal/mol
  • Pose 5: -6.946 kcal/mol
  • Pose 6: -6.827 kcal/mol
  • Pose 7: -6.809 kcal/mol
  • Pose 8: -6.757 kcal/mol
  • Pose 9: -6.668 kcal/mol
CHEMBL2086613_dpp4
Energy Plot
RMSD Scatter Plot