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

Docking Result

CHEMBL5266542_dpp4

Atoms: 243
Models: 9
Best Energy: -8.13 kcal/mol

Binding Energies:
  • Pose 1: -8.13 kcal/mol
  • Pose 2: -7.838 kcal/mol
  • Pose 3: -7.676 kcal/mol
  • Pose 4: -7.554 kcal/mol
  • Pose 5: -7.511 kcal/mol
  • Pose 6: -7.311 kcal/mol
  • Pose 7: -7.28 kcal/mol
  • Pose 8: -7.246 kcal/mol
  • Pose 9: -7.151 kcal/mol
CHEMBL5266542_dpp4
Energy Plot
RMSD Scatter Plot