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

Docking Result

CHEMBL4250956_dpp4

Atoms: 144
Models: 9
Best Energy: -5.394 kcal/mol

Binding Energies:
  • Pose 1: -5.394 kcal/mol
  • Pose 2: -5.39 kcal/mol
  • Pose 3: -5.243 kcal/mol
  • Pose 4: -5.213 kcal/mol
  • Pose 5: -5.201 kcal/mol
  • Pose 6: -5.141 kcal/mol
  • Pose 7: -5.101 kcal/mol
  • Pose 8: -4.954 kcal/mol
  • Pose 9: -4.878 kcal/mol
CHEMBL4250956_dpp4
Energy Plot
RMSD Scatter Plot