Pagonabarraga Mora, IgnacioOrozco López, ModestoBurillo Garcia, Marc2024-09-102024-09-102024-01https://hdl.handle.net/2445/215088Treballs Finals de Grau de Física, Facultat de Física, Universitat de Barcelona, Curs: 2024, Tutors: Ignacio Pagonabarraga Mora, Modesto Orozco LópezTraditional 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.7 p.application/pdfengcc-by-nc-nd (c) Burillo, 2024http://creativecommons.org/licenses/by-nc-nd/3.0/es/RNADinàmica molecularTreballs de fi de grauRNAMolecular dynamicsBachelor's thesesinfo:eu-repo/semantics/bachelorThesisinfo:eu-repo/semantics/openAccess