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

Docking Result

CHEMBL1650431_dpp4

Atoms: 243
Models: 9
Best Energy: -7.91 kcal/mol

Binding Energies:
  • Pose 1: -7.91 kcal/mol
  • Pose 2: -7.776 kcal/mol
  • Pose 3: -7.72 kcal/mol
  • Pose 4: -7.539 kcal/mol
  • Pose 5: -7.53 kcal/mol
  • Pose 6: -7.512 kcal/mol
  • Pose 7: -7.307 kcal/mol
  • Pose 8: -7.294 kcal/mol
  • Pose 9: -7.272 kcal/mol
CHEMBL1650431_dpp4
Energy Plot
RMSD Scatter Plot