On the uses of PCA to characterise molecular dynamics simulations of biological macromolecules: basics and tips for an effective use

J Palma, G Pierdominici‐Sottile - ChemPhysChem, 2023 - Wiley Online Library
Abstract Principal Component Analysis (PCA) is a procedure widely used to examine data
collected from molecular dynamics simulations of biological macromolecules. It allows for …

[HTML][HTML] Characterization of epitranscriptome reader proteins experimentally and in silico: current knowledge and future perspectives beyond the YTH domain

LG Miller, M Demny, P Tamamis… - Computational and …, 2023 - Elsevier
To date, over 150 chemical modifications to the four canonical RNA bases have been
discovered, known collectively as the epitranscriptome. Many of these modifications have …

Dynamics and Function of sRNA/mRNAs Under the Scrutiny of Computational Simulation Methods

A Ormazábal, J Palma… - Bacterial Regulatory RNA …, 2024 - Springer
Molecular dynamics simulations have proved extremely useful in investigating the
functioning of proteins with atomic-scale resolution. Many applications to the study of RNA …

Recognition and binding of RsmE to an AGGAC motif of RsmZ: insights from molecular dynamics simulations

A Ormazábal, G Pierdominici-Sottile… - Journal of Chemical …, 2022 - ACS Publications
CsrA/RsmE is a post-transcriptional regulator protein widely distributed in bacteria. It
impedes the expression of target mRNAs by attaching their 5′ untranslated region. The …

Bases moleculares del mecanismo de regulación post-transcripcional asociado al sistema RsmZ/RsmE. Un estudio computacional

A Ormazábal - 2024 - ridaa.unq.edu.ar
Las proteínas de la familia Csr se encuentran presentes en el 75% de las especies
bacterianas, y se estima que el 15% de los genes codificados en Escherichia coli son …

[PDF][PDF] Bases moleculares del mecanismo de regulación post-transcripcional asociado al sistema RsmZ/RsmE

A Ormazábal - researchgate.net
Preámbulo Esta tesis está dividida en dos partes, cada una de las cuales cuenta con tres
capítulos. El criterio por el cual establecí esta división es distinguir el marco teórico …