Unraveling the allosteric inhibition mechanism of TLR2 by CU-CPT22: A combined DFT and enhanced sampling MD study
- DOI
- 10.1016/j.jmgm.2026.109585
- Published
- 2026-12
- Container
- Journal of Molecular Graphics and Modelling
- Publisher
- Elsevier BV
- Open access
- unknown
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Cite this work
BibTeX
@article{allodium:10.1016/j.jmgm.2026.109585,
title = {Unraveling the allosteric inhibition mechanism of TLR2 by CU-CPT22: A combined DFT and enhanced sampling MD study},
author = {Peng Jiao and Chengliang Ni and Haonian Jin and Xiaokun Zhang and Hong Yan},
year = {2026},
journal = {Journal of Molecular Graphics and Modelling},
doi = {10.1016/j.jmgm.2026.109585},
url = {https://doi.org/10.1016/j.jmgm.2026.109585}
}RIS
TY - JOUR TI - Unraveling the allosteric inhibition mechanism of TLR2 by CU-CPT22: A combined DFT and enhanced sampling MD study AU - Peng Jiao AU - Chengliang Ni AU - Haonian Jin AU - Xiaokun Zhang AU - Hong Yan PY - 2026 JO - Journal of Molecular Graphics and Modelling DO - 10.1016/j.jmgm.2026.109585 UR - https://doi.org/10.1016/j.jmgm.2026.109585 ER -
APA
Jiao, P., Ni, C., Jin, H., Zhang, X., & Yan, H. (2026). Unraveling the allosteric inhibition mechanism of TLR2 by CU-CPT22: A combined DFT and enhanced sampling MD study. Journal of Molecular Graphics and Modelling. https://doi.org/10.1016/j.jmgm.2026.109585
Source records
- crossref · retrieved 2026-09-27T10:06:24.053Z