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

Docking Result

CHEMBL3650434_dpp4

Atoms: 261
Models: 9
Best Energy: -7.705 kcal/mol

Binding Energies:
  • Pose 1: -7.705 kcal/mol
  • Pose 2: -7.659 kcal/mol
  • Pose 3: -7.292 kcal/mol
  • Pose 4: -7.284 kcal/mol
  • Pose 5: -7.278 kcal/mol
  • Pose 6: -7.194 kcal/mol
  • Pose 7: -7.081 kcal/mol
  • Pose 8: -6.767 kcal/mol
  • Pose 9: -6.721 kcal/mol
CHEMBL3650434_dpp4
Energy Plot
RMSD Scatter Plot