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

Docking Result

CHEMBL235198_dpp4

Atoms: 306
Models: 9
Best Energy: -8.232 kcal/mol

Binding Energies:
  • Pose 1: -8.232 kcal/mol
  • Pose 2: -7.994 kcal/mol
  • Pose 3: -7.98 kcal/mol
  • Pose 4: -7.942 kcal/mol
  • Pose 5: -7.902 kcal/mol
  • Pose 6: -7.807 kcal/mol
  • Pose 7: -7.768 kcal/mol
  • Pose 8: -7.724 kcal/mol
  • Pose 9: -7.674 kcal/mol
CHEMBL235198_dpp4
Energy Plot
RMSD Scatter Plot