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

Docking Result

CHEMBL4744633_dpp4

Atoms: 297
Models: 9
Best Energy: -8.355 kcal/mol

Binding Energies:
  • Pose 1: -8.355 kcal/mol
  • Pose 2: -8.204 kcal/mol
  • Pose 3: -8.153 kcal/mol
  • Pose 4: -7.982 kcal/mol
  • Pose 5: -7.603 kcal/mol
  • Pose 6: -7.491 kcal/mol
  • Pose 7: -7.413 kcal/mol
  • Pose 8: -7.333 kcal/mol
  • Pose 9: -7.145 kcal/mol
CHEMBL4744633_dpp4
Energy Plot
RMSD Scatter Plot