RNAJP: enhanced RNA 3D structure predictions with non-canonical interactions and global topology sampling.

ABSTRACT: RNA 3D structures are critical for understanding their functions. However, only a limited number of RNA structures have been experimentally solved, so computational prediction methods are highly desirable. Nevertheless, accurate prediction of RNA 3D structures, especially those containing multiway junctions, remains a significant challenge, mainly due to the complicated non-canonical base pairing and stacking interactions in the junction loops and the possible long-range interactions between loop structures. Here we present RNAJP ('RNA Junction Prediction'), a nucleotide- and helix-level coarse-grained model for the prediction of RNA 3D structures, particularly junction structures, from a given 2D structure. Through global sampling of the 3D arrangements of the helices in junctions using m

SUBMITTER: Li J 

PROVIDER: S-EPMC10123122 | biostudies-literature | 2023 Apr

REPOSITORIES: biostudies-literature