Validation of a new restraint docking method for solution structure determinations of protein-ligand complexes.

@article{Polshakov1999ValidationOA,
  title={Validation of a new restraint docking method for solution structure determinations of protein-ligand complexes.},
  author={Vladimir I Polshakov and William D Morgan and Berry Birdsall and James Feeney},
  journal={Journal of biomolecular NMR},
  year={1999},
  volume={14 2},
  pages={115-22}
}
A new method is proposed for docking ligands into proteins in cases where an NMR-determined solution structure of a related complex is available. The method uses a set of experimentally determined values for protein-ligand, ligand-ligand, and protein-protein restraints for residues in or near to the binding site, combined with a set of protein-protein… CONTINUE READING