A Curvilinear-Path Umbrella Sampling Approach to Characterizing the Interactions Between Rapamycin and Three FKBP12 Variants

Rapamycin is an immunosuppressant macrolide that exhibits anti-proliferative properties through inhibiting the mTOR kinase. In fact, the drug first associates with the FKBP12 enzyme before interacting with the FRB domain of its target. Despite the availability of structural and thermodynamic informa...

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Detalles Bibliográficos
Autores principales: Joshi, Dhananjay C., Gosse, Charlie, Huang, Shu-Yu, Lin, Jung-Hsin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Molecular Biosciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9304761/
https://www.ncbi.nlm.nih.gov/pubmed/35874613
http://dx.doi.org/10.3389/fmolb.2022.879000

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9304761/
https://www.ncbi.nlm.nih.gov/pubmed/35874613
http://dx.doi.org/10.3389/fmolb.2022.879000

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