journal article·2026-06-11

Coarse-Grained Simulations Reveal Salt- and Length-Dependent Condensation of G4C2 RNA Repeats

Qin Zhang, Mariana Valério, Linus Grünewald, Luís Borges-Araújo, Fabian Grünewald, Shaomeng Wang, Siewert J. Marrink, Yubin Gong, Paulo C. T. Souza

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Abstract

RNA-RNA interactions drive the formation of biomolecular condensates via liquid-liquid phase separation (LLPS), but their underlying molecular mechanisms remain poorly understood. Here, we employ Martini 3 coarse-grained molecular simulations to investigate phase transitions of G4C2 RNA repeats─sequences implicated in neurodegenerative disorders such as ALS and FTD─across varying salt concentrations. The model captures salt-dependent transitions from dispersed to condensed-like states and suggests that dominant interaction patterns, including Watson-Crick-like and G-G contacts, shift with ionic strength. Notably, longer RNA sequences maintain phase-separated states at salt concentrations that dissolve shorter ones, in line with experimental observations. Our findings demonstrate the ability of the Martini coarse-grained model to reproduce key biophysical features of RNA LLPS, including sequence-length dependence and interaction specificity. This work provides molecular-level insight into RNA-driven phase separation and reveals how sequence composition and ionic strength govern the emergence and stability of RNA-rich assemblies.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: RNA Research and Splicing · RNA and protein synthesis mechanisms · RNA regulation and disease

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

School of Electronic Science and Engineering

University of Electronic Science and Technology of China

Laboratoire de Biologie et Modélisation de la Cellule, CNRS, UMR 5239, Inserm, U1293, Université Claude Bernard Lyon 1, Ecole Normale Supérieure de Lyon, 46 Allée d’Italie, 69364 Lyon, France

Centre Blaise Pascal de Simulation et de Modélisation Numérique, Ecole Normale Supérieure de Lyon, 46 Allée d’Italie, 69364 Lyon, France

Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, Nijenborgh 7, 9747 AG Groningen, The Netherlands

Heidelberg Institute for Theoretical Studies (HITS), Schloss-Wolfsbrunnenweg 35, 69118 Heidelberg, Germany

Funding

European Research Council · Grand Équipement National De Calcul Intensif · National Natural Science Foundation of China · Klaus Tschira Stiftung

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