Reaction Mechanism and Chemoselectivity of an Enzymatic PAS Domain: A Combined MD and QM/MM Study

Sijie Xiang, Xiang Sheng, Hao Su

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DOI: 10.1021/acs.jpcb.6c03782
Published: 2026-10-26
Container: The Journal of Physical Chemistry B
Publisher: American Chemical Society (ACS)
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jpcb.6c03782,
  title = {Reaction Mechanism and Chemoselectivity of an Enzymatic
PAS Domain: A Combined MD and QM/MM Study},
  author = {Sijie Xiang and Xiang Sheng and Hao Su},
  year = {2026},
  journal = {The Journal of Physical Chemistry B},
  doi = {10.1021/acs.jpcb.6c03782},
  url = {https://doi.org/10.1021/acs.jpcb.6c03782}
}

RIS

TY  - JOUR
TI  - Reaction Mechanism and Chemoselectivity of an Enzymatic
PAS Domain: A Combined MD and QM/MM Study
AU  - Sijie Xiang
AU  - Xiang Sheng
AU  - Hao Su
PY  - 2026
JO  - The Journal of Physical Chemistry B
DO  - 10.1021/acs.jpcb.6c03782
UR  - https://doi.org/10.1021/acs.jpcb.6c03782
ER  -

APA

Xiang, S., Sheng, X., & Su, H. (2026). Reaction Mechanism and Chemoselectivity of an Enzymatic PAS Domain: A Combined MD and QM/MM Study. The Journal of Physical Chemistry B. https://doi.org/10.1021/acs.jpcb.6c03782

Source records

crossref · retrieved 2026-11-10T11:19:01.099Z