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

Docking Result

CHEMBL201398_dpp4

Atoms: 261
Models: 9
Best Energy: -8.356 kcal/mol

Binding Energies:
  • Pose 1: -8.356 kcal/mol
  • Pose 2: -8.178 kcal/mol
  • Pose 3: -7.618 kcal/mol
  • Pose 4: -7.568 kcal/mol
  • Pose 5: -7.559 kcal/mol
  • Pose 6: -7.393 kcal/mol
  • Pose 7: -7.334 kcal/mol
  • Pose 8: -7.142 kcal/mol
  • Pose 9: -7.111 kcal/mol
CHEMBL201398_dpp4
Energy Plot
RMSD Scatter Plot