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

Docking Result

CHEMBL2178961_dpp4

Atoms: 297
Models: 9
Best Energy: -9.179 kcal/mol

Binding Energies:
  • Pose 1: -9.179 kcal/mol
  • Pose 2: -8.86 kcal/mol
  • Pose 3: -8.768 kcal/mol
  • Pose 4: -8.668 kcal/mol
  • Pose 5: -8.666 kcal/mol
  • Pose 6: -8.253 kcal/mol
  • Pose 7: -8.235 kcal/mol
  • Pose 8: -8.182 kcal/mol
  • Pose 9: -8.075 kcal/mol
CHEMBL2178961_dpp4
Energy Plot
RMSD Scatter Plot