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

Docking Result

CHEMBL1243183_dpp4

Atoms: 234
Models: 9
Best Energy: -8.045 kcal/mol

Binding Energies:
  • Pose 1: -8.045 kcal/mol
  • Pose 2: -7.823 kcal/mol
  • Pose 3: -7.813 kcal/mol
  • Pose 4: -7.61 kcal/mol
  • Pose 5: -7.497 kcal/mol
  • Pose 6: -7.473 kcal/mol
  • Pose 7: -7.439 kcal/mol
  • Pose 8: -7.289 kcal/mol
  • Pose 9: -7.224 kcal/mol
CHEMBL1243183_dpp4
Energy Plot
RMSD Scatter Plot