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

Docking Result

CHEMBL313952_dpp4

Atoms: 225
Models: 9
Best Energy: -7.676 kcal/mol

Binding Energies:
  • Pose 1: -7.676 kcal/mol
  • Pose 2: -7.495 kcal/mol
  • Pose 3: -7.284 kcal/mol
  • Pose 4: -7.246 kcal/mol
  • Pose 5: -7.213 kcal/mol
  • Pose 6: -7.154 kcal/mol
  • Pose 7: -7.086 kcal/mol
  • Pose 8: -6.877 kcal/mol
  • Pose 9: -6.865 kcal/mol
CHEMBL313952_dpp4
Energy Plot
RMSD Scatter Plot