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

Docking Result

CHEMBL257852_dpp4

Atoms: 207
Models: 9
Best Energy: -7.116 kcal/mol

Binding Energies:
  • Pose 1: -7.116 kcal/mol
  • Pose 2: -6.7 kcal/mol
  • Pose 3: -6.633 kcal/mol
  • Pose 4: -6.493 kcal/mol
  • Pose 5: -6.355 kcal/mol
  • Pose 6: -6.348 kcal/mol
  • Pose 7: -6.115 kcal/mol
  • Pose 8: -6.062 kcal/mol
  • Pose 9: -5.967 kcal/mol
CHEMBL257852_dpp4
Energy Plot
RMSD Scatter Plot