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

Docking Result

CHEMBL248743_dpp4

Atoms: 234
Models: 9
Best Energy: -8.038 kcal/mol

Binding Energies:
  • Pose 1: -8.038 kcal/mol
  • Pose 2: -7.894 kcal/mol
  • Pose 3: -7.647 kcal/mol
  • Pose 4: -7.555 kcal/mol
  • Pose 5: -7.489 kcal/mol
  • Pose 6: -7.35 kcal/mol
  • Pose 7: -7.287 kcal/mol
  • Pose 8: -7.287 kcal/mol
  • Pose 9: -6.945 kcal/mol
CHEMBL248743_dpp4
Energy Plot
RMSD Scatter Plot