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

Docking Result

CHEMBL3236124_dpp4

Atoms: 297
Models: 9
Best Energy: -9.327 kcal/mol

Binding Energies:
  • Pose 1: -9.327 kcal/mol
  • Pose 2: -9.23 kcal/mol
  • Pose 3: -9.2 kcal/mol
  • Pose 4: -9.114 kcal/mol
  • Pose 5: -9.088 kcal/mol
  • Pose 6: -9.03 kcal/mol
  • Pose 7: -8.917 kcal/mol
  • Pose 8: -8.91 kcal/mol
  • Pose 9: -8.84 kcal/mol
CHEMBL3236124_dpp4
Energy Plot
RMSD Scatter Plot