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

Docking Result

CHEMBL97674_dpp4

Atoms: 171
Models: 9
Best Energy: -5.351 kcal/mol

Binding Energies:
  • Pose 1: -5.351 kcal/mol
  • Pose 2: -5.32 kcal/mol
  • Pose 3: -5.136 kcal/mol
  • Pose 4: -5.113 kcal/mol
  • Pose 5: -5.086 kcal/mol
  • Pose 6: -5.072 kcal/mol
  • Pose 7: -5.011 kcal/mol
  • Pose 8: -4.967 kcal/mol
  • Pose 9: -4.9 kcal/mol
CHEMBL97674_dpp4
Energy Plot
RMSD Scatter Plot