Elucidating the druggable interface of protein-protein interactions using fragment docking and coevolutionary analysis.

@article{Bai2016ElucidatingTD,
  title={Elucidating the druggable interface of protein-protein interactions using fragment docking and coevolutionary analysis.},
  author={Fang Bai and Faruck Morcos and Ryan R Cheng and Hualiang Jiang and Jos{\'e} N. Onuchic},
  journal={Proceedings of the National Academy of Sciences of the United States of America},
  year={2016},
  volume={113 50},
  pages={E8051-E8058}
}
Protein-protein interactions play a central role in cellular function. Improving the understanding of complex formation has many practical applications, including the rational design of new therapeutic agents and the mechanisms governing signal transduction networks. The generally large, flat, and relatively featureless binding sites of protein complexes pose many challenges for drug design. Fragment docking and direct coupling analysis are used in an integrated computational method to estimate… CONTINUE READING