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

Docking Result

CHEMBL147691_dpp4

Atoms: 153
Models: 9
Best Energy: -5.59 kcal/mol

Binding Energies:
  • Pose 1: -5.59 kcal/mol
  • Pose 2: -5.576 kcal/mol
  • Pose 3: -5.506 kcal/mol
  • Pose 4: -5.493 kcal/mol
  • Pose 5: -5.107 kcal/mol
  • Pose 6: -5.079 kcal/mol
  • Pose 7: -5.07 kcal/mol
  • Pose 8: -4.91 kcal/mol
  • Pose 9: -4.894 kcal/mol
CHEMBL147691_dpp4
Energy Plot
RMSD Scatter Plot