Intrinsically disordered proteins and biomolecular condensates

Intrinsically disordered proteins are a central focus of our research. We use molecular simulations to understand how these proteins interact, both in coupled folding and binding to folded partners and with each other in biomolecular condensates. We have studied the competitive binding of HIF-1α and CITED2 to the TAZ1 domain of CBP, found a crossover in interaction strength between the aromatic amino acids tyrosine and phenylalanine in condensates, and identified the molecular determinants that distinguish arginine from lysine in cation–π interactions.

Selected Publications

Lydia Armentia; Xabier López; David De Sancho

Molecular determinants of arginine versus lysine cation–π interactions in biomolecular condensates

Communications Chemistry, 2026 , 9 (1) , 279

DOI

BibTeX

@article{molecular-determinants-of-arginine-versus-lysine-cation%CF%80-interactions-in-biomolecular-condensates,
  title = {Molecular determinants of arginine versus lysine cation–π interactions in biomolecular condensates},
  author = {Lydia Armentia and Xabier López and David De Sancho},
  journal = {Communications Chemistry},
  year = {2026},
  volume = {9},
  number = {1},
  pages = {279},
  doi = {10.1038/s42004-026-02075-7},
  url = {https://doi.org/10.1038/s42004-026-02075-7},
}

Graphical abstract for Molecular determinants of arginine versus lysine cation–π interactions in biomolecular condensates

David De Sancho; Xabier Lopez

Crossover in aromatic amino acid interaction strength between tyrosine and phenylalanine in biomolecular condensates

eLife, 2025 , 14 , RP104950

DOI

BibTeX

@article{crossover-in-aromatic-amino-acid-interaction-strength-between-tyrosine-and-phenylalanine-in-biomolecular-condensates,
  title = {Crossover in aromatic amino acid interaction strength between tyrosine and phenylalanine in biomolecular condensates},
  author = {David De Sancho and Xabier Lopez},
  journal = {eLife},
  year = {2025},
  volume = {14},
  pages = {RP104950},
  doi = {10.7554/elife.104950},
  url = {https://doi.org/10.7554/elife.104950},
}

Irene Ruiz-Ortiz; David De Sancho

Competitive binding of HIF-1α and CITED2 to the TAZ1 domain of CBP from molecular simulations

Physical Chemistry Chemical Physics, 2020 , 22 (15) , 8118-8127

DOI

BibTeX

@article{competitive-binding-of-hif-1%CE%B1-and-cited2-to-the-taz1-domain-of-cbp-from-molecular-simulations,
  title = {Competitive binding of HIF-1α and CITED2 to the TAZ1 domain of CBP from molecular simulations},
  author = {Irene Ruiz-Ortiz and David De Sancho},
  journal = {Physical Chemistry Chemical Physics},
  year = {2020},
  volume = {22},
  number = {15},
  pages = {8118-8127},
  doi = {10.1039/d0cp00328j},
  url = {https://doi.org/10.1039/d0cp00328j},
}