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

Docking Result

CHEMBL1185242_dpp4

Atoms: 288
Models: 9
Best Energy: -9.411 kcal/mol

Binding Energies:
  • Pose 1: -9.411 kcal/mol
  • Pose 2: -9.22 kcal/mol
  • Pose 3: -9.199 kcal/mol
  • Pose 4: -9.175 kcal/mol
  • Pose 5: -9.156 kcal/mol
  • Pose 6: -8.802 kcal/mol
  • Pose 7: -8.763 kcal/mol
  • Pose 8: -8.748 kcal/mol
  • Pose 9: -8.746 kcal/mol
CHEMBL1185242_dpp4
Energy Plot
RMSD Scatter Plot