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

Docking Result

CHEMBL317787_dpp4

Atoms: 144
Models: 9
Best Energy: -5.434 kcal/mol

Binding Energies:
  • Pose 1: -5.434 kcal/mol
  • Pose 2: -5.367 kcal/mol
  • Pose 3: -5.193 kcal/mol
  • Pose 4: -5.158 kcal/mol
  • Pose 5: -5.034 kcal/mol
  • Pose 6: -4.999 kcal/mol
  • Pose 7: -4.919 kcal/mol
  • Pose 8: -4.754 kcal/mol
  • Pose 9: -4.74 kcal/mol
CHEMBL317787_dpp4
Energy Plot
RMSD Scatter Plot