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

Docking Result

CHEMBL2425891_dpp4

Atoms: 297
Models: 9
Best Energy: -8.668 kcal/mol

Binding Energies:
  • Pose 1: -8.668 kcal/mol
  • Pose 2: -8.374 kcal/mol
  • Pose 3: -8.247 kcal/mol
  • Pose 4: -8.123 kcal/mol
  • Pose 5: -8.058 kcal/mol
  • Pose 6: -8.039 kcal/mol
  • Pose 7: -7.993 kcal/mol
  • Pose 8: -7.938 kcal/mol
  • Pose 9: -7.815 kcal/mol
CHEMBL2425891_dpp4
Energy Plot
RMSD Scatter Plot