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

Docking Result

CHEMBL2159190_dpp4

Atoms: 261
Models: 9
Best Energy: -7.795 kcal/mol

Binding Energies:
  • Pose 1: -7.795 kcal/mol
  • Pose 2: -7.53 kcal/mol
  • Pose 3: -7.454 kcal/mol
  • Pose 4: -7.322 kcal/mol
  • Pose 5: -7.32 kcal/mol
  • Pose 6: -7.228 kcal/mol
  • Pose 7: -7.203 kcal/mol
  • Pose 8: -6.997 kcal/mol
  • Pose 9: -6.893 kcal/mol
CHEMBL2159190_dpp4
Energy Plot
RMSD Scatter Plot