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

Docking Result

CHEMBL4845890_dpp4

Atoms: 297
Models: 9
Best Energy: -7.924 kcal/mol

Binding Energies:
  • Pose 1: -7.924 kcal/mol
  • Pose 2: -7.452 kcal/mol
  • Pose 3: -7.425 kcal/mol
  • Pose 4: -7.404 kcal/mol
  • Pose 5: -7.358 kcal/mol
  • Pose 6: -7.296 kcal/mol
  • Pose 7: -7.282 kcal/mol
  • Pose 8: -7.027 kcal/mol
  • Pose 9: -6.949 kcal/mol
CHEMBL4845890_dpp4
Energy Plot
RMSD Scatter Plot