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

Docking Result

CHEMBL323130_dpp4

Atoms: 189
Models: 9
Best Energy: -4.621 kcal/mol

Binding Energies:
  • Pose 1: -4.621 kcal/mol
  • Pose 2: -4.619 kcal/mol
  • Pose 3: -4.564 kcal/mol
  • Pose 4: -4.512 kcal/mol
  • Pose 5: -4.474 kcal/mol
  • Pose 6: -4.472 kcal/mol
  • Pose 7: -4.426 kcal/mol
  • Pose 8: -4.351 kcal/mol
  • Pose 9: -4.206 kcal/mol
CHEMBL323130_dpp4
Energy Plot
RMSD Scatter Plot