Computational Exploration of Allowed Geometry Space for Proto-rna Assemblies

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Publicat a:ProQuest Dissertations and Theses (2025)
Autor principal: Thomas-Wilkinson, Shiloh
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ProQuest Dissertations & Theses
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100 1 |a Thomas-Wilkinson, Shiloh 
245 1 |a Computational Exploration of Allowed Geometry Space for Proto-rna Assemblies 
260 |b ProQuest Dissertations & Theses  |c 2025 
513 |a Dissertation/Thesis 
520 3 |a One of the most commonly known paradigms for the origins of terrestrial life is the RNA world hypothesis, which posits that RNA emerged as the first informational polymer and that DNA is its direct descendant. However, hypothetical evolutionary precursors to RNA, or proto-RNA-type molecules, are of interest in the prebiotic chemistry space inasmuch as they present a more prebiotically plausible explanation for the evolution of nucleic acids. This work focuses on the use of the proto-Nucleic Acid Builder, an opensource software designed for the construction of alternative nucleic acid molecules from geometric first principles, to explore one such proto-RNA system and the development of a methodology to delimit the helical and torsional parameters that stable supramolecular assemblies of these proto-RNA molecules will be able to adopt, while also endeavoring to narrow the range of potential proto-RNA backbone candidates for the system. While the results shed light on factors of potential importance in the stability of the assemblies, further work is needed to construct conformers that align more closely with realistic expectations of backbone torsions. 
653 |a Aqueous solutions 
653 |a Polymers 
653 |a Hydrogen bonds 
653 |a Open source software 
653 |a Methane 
653 |a Symmetry 
653 |a Earth 
653 |a Prebiotics 
653 |a Software upgrading 
653 |a Energy 
653 |a Geometry 
653 |a Asymmetry 
653 |a Computer science 
653 |a Polymer chemistry 
773 0 |t ProQuest Dissertations and Theses  |g (2025) 
786 0 |d ProQuest  |t ProQuest Dissertations & Theses Global 
856 4 1 |3 Citation/Abstract  |u https://www.proquest.com/docview/3275478103/abstract/embedded/7BTGNMKEMPT1V9Z2?source=fedsrch 
856 4 0 |3 Full Text - PDF  |u https://www.proquest.com/docview/3275478103/fulltextPDF/embedded/7BTGNMKEMPT1V9Z2?source=fedsrch