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

Docking Result

CHEMBL1688433_dpp4

Atoms: 234
Models: 9
Best Energy: -7.488 kcal/mol

Binding Energies:
  • Pose 1: -7.488 kcal/mol
  • Pose 2: -7.411 kcal/mol
  • Pose 3: -7.136 kcal/mol
  • Pose 4: -7.108 kcal/mol
  • Pose 5: -7.059 kcal/mol
  • Pose 6: -6.811 kcal/mol
  • Pose 7: -6.801 kcal/mol
  • Pose 8: -6.792 kcal/mol
  • Pose 9: -6.559 kcal/mol
CHEMBL1688433_dpp4
Energy Plot
RMSD Scatter Plot