RNA Dynamics and Interactions Revealed Through Atomistic Simulations
Abstract
RNA function is deeply intertwined with its conformational dynamics. In this review, we survey recent advances in the use of atomistic molecular dynamics simulations to characterize RNA dynamics in diverse contexts, including isolated molecules and complexes with ions, small molecules, or proteins. We highlight how enhanced sampling techniques and integrative approaches can improve both the precision and accuracy of the resulting structural ensembles. Finally, we examine the emerging role of artificial intelligence in accelerating progress in RNA modeling and simulation.
Fields of Study & Subjects
RNA and protein synthesis mechanisms
DNA and Nucleic Acid Chemistry
Protein Structure and Dynamics
Publication details
- Journal / source
- Annual Review of Physical Chemistry
- Publisher
- Annual Reviews
- Volume
- 77
- Issue
- 1
- Pages
- 489–512
- Publication date
- 23 February 2026
- Language
- EN