A novel approach for assessing macromolecular complexes combining soft-docking calculations with NMR data.

@article{Morelli2001ANA,
  title={A novel approach for assessing macromolecular complexes combining soft-docking calculations with NMR data.},
  author={Xavier Morelli and Pasquale Palma and Françoise Guerlesquin and Alan C. Rigby},
  journal={Protein science : a publication of the Protein Society},
  year={2001},
  volume={10 10},
  pages={2131-7}
}
We present a novel and efficient approach for assessing protein-protein complex formation, which combines ab initio docking calculations performed with the protein docking algorithm BiGGER and chemical shift perturbation data collected with heteronuclear single quantum coherence (HSQC) or TROSY nuclear magnetic resonance (NMR) spectroscopy. This method, termed "restrained soft-docking," is validated for several known protein complexes. These data demonstrate that restrained soft-docking extends… CONTINUE READING