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

Docking Result

CHEMBL3093922_dpp4

Atoms: 207
Models: 9
Best Energy: -7.199 kcal/mol

Binding Energies:
  • Pose 1: -7.199 kcal/mol
  • Pose 2: -7.114 kcal/mol
  • Pose 3: -7.104 kcal/mol
  • Pose 4: -7.041 kcal/mol
  • Pose 5: -6.981 kcal/mol
  • Pose 6: -6.948 kcal/mol
  • Pose 7: -6.91 kcal/mol
  • Pose 8: -6.852 kcal/mol
  • Pose 9: -6.796 kcal/mol
CHEMBL3093922_dpp4
Energy Plot
RMSD Scatter Plot