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

Docking Result

CHEMBL5275484_dpp4

Atoms: 297
Models: 9
Best Energy: -8.3 kcal/mol

Binding Energies:
  • Pose 1: -8.3 kcal/mol
  • Pose 2: -7.589 kcal/mol
  • Pose 3: -7.451 kcal/mol
  • Pose 4: -7.427 kcal/mol
  • Pose 5: -7.385 kcal/mol
  • Pose 6: -7.362 kcal/mol
  • Pose 7: -7.196 kcal/mol
  • Pose 8: -7.093 kcal/mol
  • Pose 9: -7.038 kcal/mol
CHEMBL5275484_dpp4
Energy Plot
RMSD Scatter Plot