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

Docking Result

CHEMBL1688520_dpp4

Atoms: 200
Models: 8
Best Energy: -7.936 kcal/mol

Binding Energies:
  • Pose 1: -7.936 kcal/mol
  • Pose 2: -7.408 kcal/mol
  • Pose 3: -7.331 kcal/mol
  • Pose 4: -7.222 kcal/mol
  • Pose 5: -7.193 kcal/mol
  • Pose 6: -7.145 kcal/mol
  • Pose 7: -7.031 kcal/mol
  • Pose 8: -6.79 kcal/mol
CHEMBL1688520_dpp4
Energy Plot
RMSD Scatter Plot