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

Docking Result

CHEMBL4636081_dpp4

Atoms: 297
Models: 9
Best Energy: -7.97 kcal/mol

Binding Energies:
  • Pose 1: -7.97 kcal/mol
  • Pose 2: -7.503 kcal/mol
  • Pose 3: -7.42 kcal/mol
  • Pose 4: -7.379 kcal/mol
  • Pose 5: -7.306 kcal/mol
  • Pose 6: -7.264 kcal/mol
  • Pose 7: -7.221 kcal/mol
  • Pose 8: -7.188 kcal/mol
  • Pose 9: -7.182 kcal/mol
CHEMBL4636081_dpp4
Energy Plot
RMSD Scatter Plot