Exploring RNA destabilization mechanisms in biomolecular condensates through atomistic simulations.

ABSTRACT: Biomolecular condensates are currently recognized to play a key role in organizing cellular space and in orchestrating biochemical processes. Despite an increasing interest in characterizing their internal organization at the molecular scale, not much is known about how the densely crowded environment within these condensates affects the structural properties of recruited macromolecules. Here, we adopted explicit-solvent all-atom simulations based on a combination of enhanced sampling approaches to investigate how the conformational ensemble of an RNA hairpin is reshaped in a highly concentrated peptide solution that mimics the interior of a biomolecular condensate. Our simulations indicate that RNA structure is greatly perturbed by this distinctive physico-chemical environment, which weak

SUBMITTER: Boccalini M 

PROVIDER: S-EPMC12012522 | biostudies-literature | 2025 Apr

REPOSITORIES: biostudies-literature