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

Docking Result

CHEMBL3402118_dpp4

Atoms: 396
Models: 9
Best Energy: -9.489 kcal/mol

Binding Energies:
  • Pose 1: -9.489 kcal/mol
  • Pose 2: -9.471 kcal/mol
  • Pose 3: -9.128 kcal/mol
  • Pose 4: -9.081 kcal/mol
  • Pose 5: -9.055 kcal/mol
  • Pose 6: -8.925 kcal/mol
  • Pose 7: -8.9 kcal/mol
  • Pose 8: -8.79 kcal/mol
  • Pose 9: -8.451 kcal/mol
CHEMBL3402118_dpp4
Energy Plot
RMSD Scatter Plot