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

Docking Result

CHEMBL209934_dpp4

Atoms: 207
Models: 9
Best Energy: -6.723 kcal/mol

Binding Energies:
  • Pose 1: -6.723 kcal/mol
  • Pose 2: -6.538 kcal/mol
  • Pose 3: -6.382 kcal/mol
  • Pose 4: -6.344 kcal/mol
  • Pose 5: -6.306 kcal/mol
  • Pose 6: -6.17 kcal/mol
  • Pose 7: -6.106 kcal/mol
  • Pose 8: -6.044 kcal/mol
  • Pose 9: -5.888 kcal/mol
CHEMBL209934_dpp4
Energy Plot
RMSD Scatter Plot