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

Docking Result

CHEMBL360396_dpp4

Atoms: 189
Models: 9
Best Energy: -6.776 kcal/mol

Binding Energies:
  • Pose 1: -6.776 kcal/mol
  • Pose 2: -6.732 kcal/mol
  • Pose 3: -6.677 kcal/mol
  • Pose 4: -6.65 kcal/mol
  • Pose 5: -6.244 kcal/mol
  • Pose 6: -6.176 kcal/mol
  • Pose 7: -6.169 kcal/mol
  • Pose 8: -6.145 kcal/mol
  • Pose 9: -6.092 kcal/mol
CHEMBL360396_dpp4
Energy Plot
RMSD Scatter Plot