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

Docking Result

CHEMBL6034496_dpp4

Atoms: 342
Models: 9
Best Energy: -9.921 kcal/mol

Binding Energies:
  • Pose 1: -9.921 kcal/mol
  • Pose 2: -9.618 kcal/mol
  • Pose 3: -9.603 kcal/mol
  • Pose 4: -9.399 kcal/mol
  • Pose 5: -9.309 kcal/mol
  • Pose 6: -9.126 kcal/mol
  • Pose 7: -8.996 kcal/mol
  • Pose 8: -8.883 kcal/mol
  • Pose 9: -8.873 kcal/mol
CHEMBL6034496_dpp4
Energy Plot
RMSD Scatter Plot