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

Docking Result

CHEMBL361758_dpp4

Atoms: 198
Models: 9
Best Energy: -8.181 kcal/mol

Binding Energies:
  • Pose 1: -8.181 kcal/mol
  • Pose 2: -8.038 kcal/mol
  • Pose 3: -8.031 kcal/mol
  • Pose 4: -7.997 kcal/mol
  • Pose 5: -7.806 kcal/mol
  • Pose 6: -7.493 kcal/mol
  • Pose 7: -7.395 kcal/mol
  • Pose 8: -7.393 kcal/mol
  • Pose 9: -7.251 kcal/mol
CHEMBL361758_dpp4
Energy Plot
RMSD Scatter Plot