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

Docking Result

CHEMBL4747575_dpp4

Atoms: 279
Models: 9
Best Energy: -7.677 kcal/mol

Binding Energies:
  • Pose 1: -7.677 kcal/mol
  • Pose 2: -7.613 kcal/mol
  • Pose 3: -7.604 kcal/mol
  • Pose 4: -7.571 kcal/mol
  • Pose 5: -7.544 kcal/mol
  • Pose 6: -7.471 kcal/mol
  • Pose 7: -7.241 kcal/mol
  • Pose 8: -7.239 kcal/mol
  • Pose 9: -7.175 kcal/mol
CHEMBL4747575_dpp4
Energy Plot
RMSD Scatter Plot