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

Docking Result

CHEMBL2178956_dpp4

Atoms: 306
Models: 9
Best Energy: -9.365 kcal/mol

Binding Energies:
  • Pose 1: -9.365 kcal/mol
  • Pose 2: -8.922 kcal/mol
  • Pose 3: -8.638 kcal/mol
  • Pose 4: -8.599 kcal/mol
  • Pose 5: -8.579 kcal/mol
  • Pose 6: -8.577 kcal/mol
  • Pose 7: -8.54 kcal/mol
  • Pose 8: -8.508 kcal/mol
  • Pose 9: -8.476 kcal/mol
CHEMBL2178956_dpp4
Energy Plot
RMSD Scatter Plot