Alchemical Free Energy Calculations to Investigate Protein-Protein Interactions: the Case of the CDC42/PAK1 Complex

Maria Antonietta La Serra, Pietro Vidossich, Isabella Acquistapace, Anand K. Ganesan, Marco de Vivo. Alchemical Free Energy Calculations to Investigate Protein-Protein Interactions: the Case of the CDC42/PAK1 Complex. Journal of Chemical Information and Computer Sciences, 62(12):3023-3033, 2022. [doi]

@article{SerraVAGV22,
  title = {Alchemical Free Energy Calculations to Investigate Protein-Protein Interactions: the Case of the CDC42/PAK1 Complex},
  author = {Maria Antonietta La Serra and Pietro Vidossich and Isabella Acquistapace and Anand K. Ganesan and Marco de Vivo},
  year = {2022},
  doi = {10.1021/acs.jcim.2c00348},
  url = {https://doi.org/10.1021/acs.jcim.2c00348},
  researchr = {https://researchr.org/publication/SerraVAGV22},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {62},
  number = {12},
  pages = {3023-3033},
}