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

Docking Result

CHEMBL237336_dpp4

Atoms: 243
Models: 9
Best Energy: -7.905 kcal/mol

Binding Energies:
  • Pose 1: -7.905 kcal/mol
  • Pose 2: -7.813 kcal/mol
  • Pose 3: -7.759 kcal/mol
  • Pose 4: -7.651 kcal/mol
  • Pose 5: -7.642 kcal/mol
  • Pose 6: -7.619 kcal/mol
  • Pose 7: -7.591 kcal/mol
  • Pose 8: -7.534 kcal/mol
  • Pose 9: -7.471 kcal/mol
CHEMBL237336_dpp4
Energy Plot
RMSD Scatter Plot