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

Docking Result

CHEMBL488036_dpp4

Atoms: 270
Models: 9
Best Energy: -7.838 kcal/mol

Binding Energies:
  • Pose 1: -7.838 kcal/mol
  • Pose 2: -7.524 kcal/mol
  • Pose 3: -7.457 kcal/mol
  • Pose 4: -7.43 kcal/mol
  • Pose 5: -7.409 kcal/mol
  • Pose 6: -7.387 kcal/mol
  • Pose 7: -7.349 kcal/mol
  • Pose 8: -7.289 kcal/mol
  • Pose 9: -7.243 kcal/mol
CHEMBL488036_dpp4
Energy Plot
RMSD Scatter Plot