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

Docking Result

CHEMBL3093921_dpp4

Atoms: 207
Models: 9
Best Energy: -6.826 kcal/mol

Binding Energies:
  • Pose 1: -6.826 kcal/mol
  • Pose 2: -6.818 kcal/mol
  • Pose 3: -6.813 kcal/mol
  • Pose 4: -6.716 kcal/mol
  • Pose 5: -6.694 kcal/mol
  • Pose 6: -6.631 kcal/mol
  • Pose 7: -6.583 kcal/mol
  • Pose 8: -6.561 kcal/mol
  • Pose 9: -6.518 kcal/mol
CHEMBL3093921_dpp4
Energy Plot
RMSD Scatter Plot