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

Docking Result

CHEMBL2069859_dpp4

Atoms: 288
Models: 9
Best Energy: -8.934 kcal/mol

Binding Energies:
  • Pose 1: -8.934 kcal/mol
  • Pose 2: -8.365 kcal/mol
  • Pose 3: -8.212 kcal/mol
  • Pose 4: -8.023 kcal/mol
  • Pose 5: -7.987 kcal/mol
  • Pose 6: -7.897 kcal/mol
  • Pose 7: -7.848 kcal/mol
  • Pose 8: -7.648 kcal/mol
  • Pose 9: -7.524 kcal/mol
CHEMBL2069859_dpp4
Energy Plot
RMSD Scatter Plot