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

Docking Result

CHEMBL2159194_dpp4

Atoms: 297
Models: 9
Best Energy: -8.415 kcal/mol

Binding Energies:
  • Pose 1: -8.415 kcal/mol
  • Pose 2: -7.881 kcal/mol
  • Pose 3: -7.449 kcal/mol
  • Pose 4: -7.36 kcal/mol
  • Pose 5: -7.338 kcal/mol
  • Pose 6: -6.867 kcal/mol
  • Pose 7: -6.844 kcal/mol
  • Pose 8: -6.605 kcal/mol
  • Pose 9: -6.564 kcal/mol
CHEMBL2159194_dpp4
Energy Plot
RMSD Scatter Plot