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

Docking Result

CHEMBL1812730_dpp4

Atoms: 198
Models: 9
Best Energy: -7.379 kcal/mol

Binding Energies:
  • Pose 1: -7.379 kcal/mol
  • Pose 2: -7.154 kcal/mol
  • Pose 3: -7.136 kcal/mol
  • Pose 4: -6.967 kcal/mol
  • Pose 5: -6.908 kcal/mol
  • Pose 6: -6.878 kcal/mol
  • Pose 7: -6.867 kcal/mol
  • Pose 8: -6.836 kcal/mol
  • Pose 9: -6.448 kcal/mol
CHEMBL1812730_dpp4
Energy Plot
RMSD Scatter Plot