Landscape Zooming toward the Prediction of RNA Cotranscriptional Folding.

ABSTRACT: RNA molecules fold as they are transcribed. Cotranscriptional folding of RNA plays a critical role in RNA functions in vivo. Present computational strategies focus on simulations where large structural changes may not be completely sampled. Here, we describe an alternative approach to predicting cotranscriptional RNA folding by zooming in and out of the RNA folding energy landscape. By classifying the RNA structural ensemble into "partitions" based on long, stable helices, we zoom out of the landscape and predict the overall slow folding kinetics from the interpartition kinetic network, and for each interpartition transition, we zoom in on the landscape to simulate the kinetics. Applications of the model to the 117-nucleotide E. coli SRP RNA and the 59-nucleotide HIV-1 TAR RN

SUBMITTER: Xu X 

PROVIDER: S-EPMC8904291 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature