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

Docking Result

CHEMBL397010_dpp4

Atoms: 261
Models: 9
Best Energy: -5.836 kcal/mol

Binding Energies:
  • Pose 1: -5.836 kcal/mol
  • Pose 2: -5.816 kcal/mol
  • Pose 3: -5.562 kcal/mol
  • Pose 4: -5.241 kcal/mol
  • Pose 5: -5.21 kcal/mol
  • Pose 6: -5.157 kcal/mol
  • Pose 7: -5.093 kcal/mol
  • Pose 8: -5.045 kcal/mol
  • Pose 9: -4.973 kcal/mol
CHEMBL397010_dpp4
Energy Plot
RMSD Scatter Plot