Multiscale Models of Nucleic Acid–Driven Assembly and Biomolecular Condensation

Nucleic acids are central to the organization and regulation of life, not only as carriers of genetic information but also as key structural and functional components within biomolecular condensates. Their ability to fold, interact with proteins and ions, and undergo condensation underlies phenomena such as chromatin compaction, RNA granule formation, viral genome packaging, and the emergence of membraneless organelles. Yet, connecting atomic-level interactions of DNA and RNA to the mesoscale properties and biological roles of nucleic acid–rich condensates remains a major challenge.This Research Topic, “Multiscale Modeling of Nucleic Acid Structure, Dynamics, and Condensation,” welcomes research articles that use theoretical, computational, and data-driven approaches to unravel how nucleic acids assemble, phase separate, and function within coacervates and biological condensates. Contributions that explicitly bridge multiple length and time scales—from base-pair chemistry to mesoscale material properties and cellular organization—are particularly encouraged. Studies that combine modeling with experiments (e.g., spectroscopy, microscopy, scattering, single-molecule methods, or omics-based approaches) are also highly relevant to this collection.Key areas of interest include, but are not limited to:-- Multiscale models (all-atom, coarse-grained, mesoscopic, or continuum) of DNA and RNA structure and dynamics-- Theoretical and computational studies of nucleic acid condensation, coacervation, and phase separation-- Modeling of nucleic acid–rich condensates, including RNA granules, chromatin-associated condensates, and viral or synthetic nucleic acid assemblies-- Interplay between nucleic acids, proteins, ions, and crowders in defining condensate formation, composition, and stability-- Internal structural organization and material properties (e.g., liquidity, viscoelasticity, aging, gelation) of nucleic acid–containing condensates-- Mechanistic insights into how nucleic acid condensation impacts gene regulation, genome organization, stress responses, or disease-related aggregation-- Synthetic and reconstituted systems used as model platforms for testing principles of nucleic acid-driven condensation-- Machine learning, enhanced sampling, and other advanced computational strategies applied to nucleic acid condensatesBy focusing on quantitative, mechanistic, and predictive models, this Research Topic aims to deepen understanding of how phase separation and condensation shape biological function. It provides a dedicated platform for work at the interface of biophysics, chemistry, structural biology, soft matter physics, and computational science.This collection seeks contributions that not only advance fundamental theory but also inform experimental design, shed light on disease mechanisms involving nucleic acid–rich condensates, and inspire novel technological and therapeutic applications. In doing so, it supports broader efforts connected to the UN Sustainable Development Goals, including Good Health and Well-being (SDG 3), Industry, Innovation and Infrastructure (SDG 9), and Partnerships for the Goals (SDG 17). Topic editors: Weiwei He, Zhengyue Zhang, Jinming Wu, Zhibin Sun Source: https://www.frontiersin.org/research-topics/78246/multiscale-models-of-nucleic-acid-driven-assembly-and-biomolecular-condensation