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

Docking Result

CHEMBL227800_dpp4

Atoms: 234
Models: 9
Best Energy: -7.809 kcal/mol

Binding Energies:
  • Pose 1: -7.809 kcal/mol
  • Pose 2: -7.572 kcal/mol
  • Pose 3: -7.355 kcal/mol
  • Pose 4: -7.338 kcal/mol
  • Pose 5: -7.284 kcal/mol
  • Pose 6: -7.242 kcal/mol
  • Pose 7: -7.091 kcal/mol
  • Pose 8: -7.077 kcal/mol
  • Pose 9: -6.986 kcal/mol
CHEMBL227800_dpp4
Energy Plot
RMSD Scatter Plot