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

Docking Result

CHEMBL3236117_dpp4

Atoms: 270
Models: 9
Best Energy: -7.884 kcal/mol

Binding Energies:
  • Pose 1: -7.884 kcal/mol
  • Pose 2: -7.856 kcal/mol
  • Pose 3: -7.722 kcal/mol
  • Pose 4: -7.614 kcal/mol
  • Pose 5: -7.297 kcal/mol
  • Pose 6: -7.205 kcal/mol
  • Pose 7: -7.196 kcal/mol
  • Pose 8: -7.096 kcal/mol
  • Pose 9: -6.996 kcal/mol
CHEMBL3236117_dpp4
Energy Plot
RMSD Scatter Plot