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

Docking Result

CHEMBL289651_dpp4

Atoms: 207
Models: 9
Best Energy: -7.069 kcal/mol

Binding Energies:
  • Pose 1: -7.069 kcal/mol
  • Pose 2: -7.015 kcal/mol
  • Pose 3: -6.884 kcal/mol
  • Pose 4: -6.855 kcal/mol
  • Pose 5: -6.683 kcal/mol
  • Pose 6: -6.564 kcal/mol
  • Pose 7: -6.471 kcal/mol
  • Pose 8: -6.425 kcal/mol
  • Pose 9: -6.331 kcal/mol
CHEMBL289651_dpp4
Energy Plot
RMSD Scatter Plot