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QM/MM Well-Tempered Metadynamics Study of the Mechanism of XBP1 mRNA Cleavage by Inositol Requiring Enzyme 1α RNase
[Image: see text] A range of in silico methodologies were herein employed to study the unconventional XBP1 mRNA cleavage mechanism performed by the unfolded protein response (UPR) mediator Inositol Requiring Enzyme 1α (IRE1). Using Protein–RNA molecular docking along with a series of extensive restr...
Autores principales: | Mahdizadeh, Sayyed Jalil, Pålsson, Emil, Carlesso, Antonio, Chevet, Eric, Eriksson, Leif A. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9472280/ https://www.ncbi.nlm.nih.gov/pubmed/35960929 http://dx.doi.org/10.1021/acs.jcim.2c00735 |
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