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

Docking Result

CHEMBL4077696_dpp4

Atoms: 306
Models: 9
Best Energy: -8.835 kcal/mol

Binding Energies:
  • Pose 1: -8.835 kcal/mol
  • Pose 2: -8.734 kcal/mol
  • Pose 3: -8.535 kcal/mol
  • Pose 4: -8.524 kcal/mol
  • Pose 5: -8.327 kcal/mol
  • Pose 6: -8.321 kcal/mol
  • Pose 7: -8.279 kcal/mol
  • Pose 8: -8.068 kcal/mol
  • Pose 9: -8.045 kcal/mol
CHEMBL4077696_dpp4
Energy Plot
RMSD Scatter Plot