MD SIMULATIONS OF TMAO INTERACTIONS WITH E.COLI 16S RIBOSOMAL RNA
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- title
- MD SIMULATIONS OF TMAO INTERACTIONS WITH E.COLI 16S RIBOSOMAL RNA
- author
- Turk, Mitchell Arthur
- abstract
- Trimethylamine N-Oxide (TMAO) is an osmolyte that has been extensively characterized through experiments and computational studies for its role in stabilizing proteins under osmotic stress. However, its effects on RNA, while experimentally demonstrated and recently computationally characterized to a limited extent, have been shown to differ significantly from its effects on proteins. Previous MD simulation studies have primarily examined TMAO-RNA interactions with single nucleotides or simple hairpin structures. In this study, we conducted all-atom MD simulations to explore TMAO-RNA interactions of the folded E.coli 16S rRNA, focusing on both canonical nucleotides and post-transcriptional modifications. This represents the first computational investigation of TMAO interactions on RNA with extensive tertiary structures and chemical modifications.
- subject
- Molecular Dynamics
- Post-transcriptional modifications
- Ribosome
- RNA
- TMAO
- Trimethylamine N-oxide
- contributor
- Cho, Samuel S (advisor)
- Salsbury, Freddie R (committee member)
- Holzwarth, Natalie A (committee member)
- date
- 2025-06-24T08:36:34Z (accessioned)
- 2025-06-24T08:36:34Z (available)
- 2025 (issued)
- degree
- Physics (discipline)
- identifier
- http://hdl.handle.net/10339/111026 (uri)
- language
- en (iso)
- publisher
- Wake Forest University
- type
- Thesis