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

Docking Result

CHEMBL231050_dpp4

Atoms: 324
Models: 9
Best Energy: -8.508 kcal/mol

Binding Energies:
  • Pose 1: -8.508 kcal/mol
  • Pose 2: -8.354 kcal/mol
  • Pose 3: -8.158 kcal/mol
  • Pose 4: -7.863 kcal/mol
  • Pose 5: -7.818 kcal/mol
  • Pose 6: -7.723 kcal/mol
  • Pose 7: -7.58 kcal/mol
  • Pose 8: -7.517 kcal/mol
  • Pose 9: -7.513 kcal/mol
CHEMBL231050_dpp4
Energy Plot
RMSD Scatter Plot