RNA structural dynamics as captured by molecular simulations: a comprehensive overview

J Sponer, G Bussi, M Krepl, P Banáš, S Bottaro… - Chemical …, 2018 - ACS Publications
With both catalytic and genetic functions, ribonucleic acid (RNA) is perhaps the most
pluripotent chemical species in molecular biology, and its functions are intimately linked to …

Understanding nucleic acid–ion interactions

J Lipfert, S Doniach, R Das… - Annual review of …, 2014 - annualreviews.org
Ions surround nucleic acids in what is referred to as an ion atmosphere. As a result, the
folding and dynamics of RNA and DNA and their complexes with proteins and with each …

[HTML][HTML] trRosettaRNA: automated prediction of RNA 3D structure with transformer network

W Wang, C Feng, R Han, Z Wang, L Ye, Z Du… - Nature …, 2023 - nature.com
RNA 3D structure prediction is a long-standing challenge. Inspired by the recent
breakthrough in protein structure prediction, we developed trRosettaRNA, an automated …

When will RNA get its AlphaFold moment?

B Schneider, BA Sweeney, A Bateman… - Nucleic Acids …, 2023 - academic.oup.com
The protein structure prediction problem has been solved for many types of proteins by
AlphaFold. Recently, there has been considerable excitement to build off the success of …

Assessment of three‐dimensional RNA structure prediction in CASP15

R Das, RC Kretsch, AJ Simpkin… - Proteins: Structure …, 2023 - Wiley Online Library
The prediction of RNA three‐dimensional structures remains an unsolved problem. Here, we
report assessments of RNA structure predictions in CASP15, the first CASP exercise that …

[HTML][HTML] FARFAR2: improved de novo rosetta prediction of complex global RNA folds

AM Watkins, R Rangan, R Das - Structure, 2020 - cell.com
Predicting RNA three-dimensional structures from sequence could accelerate
understanding of the growing number of RNA molecules being discovered across biology …

SimRNA: a coarse-grained method for RNA folding simulations and 3D structure prediction

MJ Boniecki, G Lach, WK Dawson… - Nucleic acids …, 2016 - academic.oup.com
RNA molecules play fundamental roles in cellular processes. Their function and interactions
with other biomolecules are dependent on the ability to form complex three-dimensional …

Atom3d: Tasks on molecules in three dimensions

RJL Townshend, M Vögele, P Suriana, A Derry… - arXiv preprint arXiv …, 2020 - arxiv.org
Computational methods that operate on three-dimensional molecular structure have the
potential to solve important questions in biology and chemistry. In particular, deep neural …

RNA-Puzzles Round IV: 3D structure predictions of four ribozymes and two aptamers

Z Miao, RW Adamiak, M Antczak, MJ Boniecki… - Rna, 2020 - rnajournal.cshlp.org
RNA-Puzzles is a collective endeavor dedicated to the advancement and improvement of
RNA 3D structure prediction. With agreement from crystallographers, the RNA structures are …

New prediction categories in CASP15

A Kryshtafovych, M Antczak… - Proteins: Structure …, 2023 - Wiley Online Library
Prediction categories in the Critical Assessment of Structure Prediction (CASP) experiments
change with the need to address specific problems in structure modeling. In CASP15, four …