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

Docking Result

CHEMBL251977_dpp4

Atoms: 387
Models: 9
Best Energy: -8.473 kcal/mol

Binding Energies:
  • Pose 1: -8.473 kcal/mol
  • Pose 2: -8.407 kcal/mol
  • Pose 3: -8.321 kcal/mol
  • Pose 4: -8.249 kcal/mol
  • Pose 5: -8.111 kcal/mol
  • Pose 6: -8.103 kcal/mol
  • Pose 7: -8.078 kcal/mol
  • Pose 8: -8.06 kcal/mol
  • Pose 9: -7.893 kcal/mol
CHEMBL251977_dpp4
Energy Plot
RMSD Scatter Plot