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

Docking Result

CHEMBL1082462_dpp4

Atoms: 216
Models: 9
Best Energy: -7.036 kcal/mol

Binding Energies:
  • Pose 1: -7.036 kcal/mol
  • Pose 2: -6.968 kcal/mol
  • Pose 3: -6.918 kcal/mol
  • Pose 4: -6.832 kcal/mol
  • Pose 5: -6.816 kcal/mol
  • Pose 6: -6.784 kcal/mol
  • Pose 7: -6.747 kcal/mol
  • Pose 8: -6.641 kcal/mol
  • Pose 9: -6.621 kcal/mol
CHEMBL1082462_dpp4
Energy Plot
RMSD Scatter Plot