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BURILLO GARCIA MARC.pdf (1.32 MB)

Document type

Bachelor thesis

Publication date

2024-01

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cc-by-nc-nd (c) Burillo, 2024
Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/215088

Coarse-grained modelling applied to RNA morphologies and flexibility

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Abstract

Traditional methods in Molecular Dynamics are encountering their computational boundaries to simulate long-time periods and large macromolecules, such as RNA. We develop an alternative approach by using: i) an ultra-simplified coarse-grained (CG) representation of the molecule and ii) a flexible non-linear potential intended to represent the accessible conformational space of RNA. This model can reproduce the flexibility observed in force-field simulations and different morphologies can be modelled. These results underscore the necessity of non-linear dynamics and statistical physics in CG to capture the dynamic behaviour of Hydrogen Bonds in RNA.

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Treballs Finals de Grau de Física, Facultat de Física, Universitat de Barcelona, Curs: 2024, Tutors: Ignacio Pagonabarraga Mora, Modesto Orozco López

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RNA, Dinàmica molecular, Treballs de fi de grau

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RNA, Molecular dynamics, Bachelor's theses

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Treballs Finals de Grau (TFG) - Física

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BURILLO GARCIA, Marc. Coarse-grained modelling applied to RNA morphologies and flexibility. [consulted: 18 of August of 2026]. Available at: https://hdl.handle.net/2445/215088

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