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

Docking Result

CHEMBL6002644_dpp4

Atoms: 333
Models: 9
Best Energy: -9.384 kcal/mol

Binding Energies:
  • Pose 1: -9.384 kcal/mol
  • Pose 2: -9.191 kcal/mol
  • Pose 3: -8.743 kcal/mol
  • Pose 4: -8.716 kcal/mol
  • Pose 5: -8.658 kcal/mol
  • Pose 6: -8.604 kcal/mol
  • Pose 7: -8.594 kcal/mol
  • Pose 8: -8.576 kcal/mol
  • Pose 9: -8.409 kcal/mol
CHEMBL6002644_dpp4
Energy Plot
RMSD Scatter Plot