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

Docking Result

CHEMBL383705_dpp4

Atoms: 126
Models: 9
Best Energy: -5.643 kcal/mol

Binding Energies:
  • Pose 1: -5.643 kcal/mol
  • Pose 2: -5.385 kcal/mol
  • Pose 3: -5.248 kcal/mol
  • Pose 4: -5.114 kcal/mol
  • Pose 5: -4.902 kcal/mol
  • Pose 6: -4.865 kcal/mol
  • Pose 7: -4.854 kcal/mol
  • Pose 8: -4.83 kcal/mol
  • Pose 9: -4.739 kcal/mol
CHEMBL383705_dpp4
Energy Plot
RMSD Scatter Plot