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

Docking Result

CHEMBL1814633_dpp4

Atoms: 351
Models: 9
Best Energy: -9.641 kcal/mol

Binding Energies:
  • Pose 1: -9.641 kcal/mol
  • Pose 2: -9.329 kcal/mol
  • Pose 3: -8.856 kcal/mol
  • Pose 4: -8.786 kcal/mol
  • Pose 5: -8.752 kcal/mol
  • Pose 6: -8.739 kcal/mol
  • Pose 7: -8.696 kcal/mol
  • Pose 8: -8.614 kcal/mol
  • Pose 9: -8.516 kcal/mol
CHEMBL1814633_dpp4
Energy Plot
RMSD Scatter Plot