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

Docking Result

CHEMBL4754343_dpp4

Atoms: 270
Models: 9
Best Energy: -8.309 kcal/mol

Binding Energies:
  • Pose 1: -8.309 kcal/mol
  • Pose 2: -8.212 kcal/mol
  • Pose 3: -8.164 kcal/mol
  • Pose 4: -8.15 kcal/mol
  • Pose 5: -8.109 kcal/mol
  • Pose 6: -7.98 kcal/mol
  • Pose 7: -7.894 kcal/mol
  • Pose 8: -7.819 kcal/mol
  • Pose 9: -7.763 kcal/mol
CHEMBL4754343_dpp4
Energy Plot
RMSD Scatter Plot