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

Docking Result

CHEMBL488225_dpp4

Atoms: 207
Models: 9
Best Energy: -7.43 kcal/mol

Binding Energies:
  • Pose 1: -7.43 kcal/mol
  • Pose 2: -6.97 kcal/mol
  • Pose 3: -6.921 kcal/mol
  • Pose 4: -6.891 kcal/mol
  • Pose 5: -6.784 kcal/mol
  • Pose 6: -6.539 kcal/mol
  • Pose 7: -6.442 kcal/mol
  • Pose 8: -6.409 kcal/mol
  • Pose 9: -6.289 kcal/mol
CHEMBL488225_dpp4
Energy Plot
RMSD Scatter Plot