Capítulo de Libro
Dynamics and function of sRNA/mRNAs under the scrutiny of computational simulation methods
Título del libro: Bacterial Regulatory RNA: Methods and Protocols
Fecha de publicación:
2024
Editorial:
Springer
ISBN:
978-1-0716-3564-3
Idioma:
Inglés
Clasificación temática:
Resumen
Molecular dynamics simulations have proved extremely useful in investigating the functioning of proteins with atomic-scale resolution. Many applications to the study of RNA also exist, and their number increases by the day. However, implementing MD simulations for RNA molecules in solution faces challenges that the MD practitioner must be aware of for the appropriate use of this tool. In this chapter, we present the fundamentals of MD simulations, in general, and the peculiarities of RNA simulations, in particular. We discuss the strengths and limitations of the technique and provide examples of its application to elucidate small RNA’s performance.
Palabras clave:
Molecular Dynamics
,
Enhanced sampling
,
Conformational ensemble
,
Small RNAs
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Citación
Ormazábal, Agustín; Palma, Juliana Isabel; Pierdominici Sottile, Gustavo; Dynamics and function of sRNA/mRNAs under the scrutiny of computational simulation methods; Springer; 2741; 2024; 207-238
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