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

Docking Result

CHEMBL1683106_dpp4

Atoms: 252
Models: 9
Best Energy: -8.25 kcal/mol

Binding Energies:
  • Pose 1: -8.25 kcal/mol
  • Pose 2: -7.568 kcal/mol
  • Pose 3: -7.52 kcal/mol
  • Pose 4: -7.489 kcal/mol
  • Pose 5: -7.374 kcal/mol
  • Pose 6: -7.287 kcal/mol
  • Pose 7: -7.119 kcal/mol
  • Pose 8: -7.106 kcal/mol
  • Pose 9: -6.926 kcal/mol
CHEMBL1683106_dpp4
Energy Plot
RMSD Scatter Plot