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

Docking Result

CHEMBL5630880_dpp4

Atoms: 270
Models: 9
Best Energy: -8.989 kcal/mol

Binding Energies:
  • Pose 1: -8.989 kcal/mol
  • Pose 2: -8.651 kcal/mol
  • Pose 3: -8.623 kcal/mol
  • Pose 4: -8.396 kcal/mol
  • Pose 5: -8.206 kcal/mol
  • Pose 6: -8.169 kcal/mol
  • Pose 7: -8.133 kcal/mol
  • Pose 8: -8.132 kcal/mol
  • Pose 9: -7.941 kcal/mol
CHEMBL5630880_dpp4
Energy Plot
RMSD Scatter Plot