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

Docking Result

CHEMBL219369_dpp4

Atoms: 225
Models: 9
Best Energy: -8.127 kcal/mol

Binding Energies:
  • Pose 1: -8.127 kcal/mol
  • Pose 2: -7.656 kcal/mol
  • Pose 3: -7.435 kcal/mol
  • Pose 4: -7.421 kcal/mol
  • Pose 5: -7.365 kcal/mol
  • Pose 6: -7.357 kcal/mol
  • Pose 7: -7.247 kcal/mol
  • Pose 8: -7.229 kcal/mol
  • Pose 9: -7.124 kcal/mol
CHEMBL219369_dpp4
Energy Plot
RMSD Scatter Plot