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

Docking Result

CHEMBL219278_dpp4

Atoms: 261
Models: 9
Best Energy: -7.983 kcal/mol

Binding Energies:
  • Pose 1: -7.983 kcal/mol
  • Pose 2: -7.977 kcal/mol
  • Pose 3: -7.534 kcal/mol
  • Pose 4: -7.434 kcal/mol
  • Pose 5: -7.231 kcal/mol
  • Pose 6: -7.207 kcal/mol
  • Pose 7: -7.148 kcal/mol
  • Pose 8: -7.132 kcal/mol
  • Pose 9: -7.103 kcal/mol
CHEMBL219278_dpp4
Energy Plot
RMSD Scatter Plot