Leveraging QM/MM and Molecular Dynamics Simulations to Decipher the Reaction Mechanism of the Cas9 HNH Domain to Investigate Off-Target Effects

Yazdan Maghsoud, Vindi M. Jayasinghe-Arachchige, Pratibha Kumari, G. Andrés Cisneros, Jin Liu 0005. Leveraging QM/MM and Molecular Dynamics Simulations to Decipher the Reaction Mechanism of the Cas9 HNH Domain to Investigate Off-Target Effects. Journal of Chemical Information and Computer Sciences, 63(21):6834-6850, November 2023. [doi]

@article{MaghsoudJKCL23,
  title = {Leveraging QM/MM and Molecular Dynamics Simulations to Decipher the Reaction Mechanism of the Cas9 HNH Domain to Investigate Off-Target Effects},
  author = {Yazdan Maghsoud and Vindi M. Jayasinghe-Arachchige and Pratibha Kumari and G. Andrés Cisneros and Jin Liu 0005},
  year = {2023},
  month = {November},
  doi = {10.1021/acs.jcim.3c01284},
  url = {https://doi.org/10.1021/acs.jcim.3c01284},
  researchr = {https://researchr.org/publication/MaghsoudJKCL23},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {63},
  number = {21},
  pages = {6834-6850},
}