Has AlphaFold 3 reached its success for RNAs?

C Bernard, G Postic, S Ghannay, F Tahi - bioRxiv, 2024 - biorxiv.org
Predicting the 3D structure of RNA is a significant challenge despite ongoing advancements
in the field. Although AlphaFold has successfully addressed this problem for proteins, RNA …

On the nature of nucleobase stacking in RNA: a comprehensive survey of its structural variability and a systematic classification of associated interactions

A Jhunjhunwala, Z Ali, S Bhattacharya… - Journal of Chemical …, 2021 - ACS Publications
The astonishing diversity in folding patterns of RNA three-dimensional (3D) structures is
crafted by myriads of noncovalent contacts, of which base pairing and stacking are the most …

Quantitative analysis of nucleic acid three-dimensional structures

P Gendron, S Lemieux, F Major - Journal of molecular biology, 2001 - Elsevier
A new computer program to annotate DNA and RNA three-dimensional structures, MC-
Annotate, is introduced. The goals of annotation are to efficiently extract and manipulate …

New metrics for comparing and assessing discrepancies between RNA 3D structures and models

M Parisien, JA Cruz, É Westhof, F Major - Rna, 2009 - rnajournal.cshlp.org
To benchmark progress made in RNA three-dimensional modeling and assess newly
developed techniques, reliable and meaningful comparison metrics and associated tools …

Base-base and deoxyribose-base stacking interactions in B-DNA and Z-DNA: a quantum-chemical study

J Sponer, HA Gabb, J Leszczynski, P Hobza - Biophysical journal, 1997 - cell.com
Base-stacking interactions in canonical and crystal B-DNA and in Z-DNA steps are studied
using the ab initio quantum-chemical method with inclusion of electron correlation. The …

MP2 and CCSD (T) study on hydrogen bonding, aromatic stacking and nonaromatic stacking

J Šponer, P Hobza - Chemical Physics Letters, 1997 - Elsevier
Three groups of molecular clusters were studied using the coupled cluster method with non-
iterative triple excitations (CCSD (T)) and the second-order Møller-Plesset perturbational …

Biotite: new tools for a versatile Python bioinformatics library

P Kunzmann, TD Müller, M Greil, JH Krumbach… - BMC …, 2023 - Springer
Background Biotite is a program library for sequence and structural bioinformatics written for
the Python programming language. It implements widely used computational methods into a …

Evaluating geometric definitions of stacking for RNA dinucleoside monophosphates using molecular mechanics calculations

A Taghavi, I Riveros, DJ Wales… - Journal of chemical theory …, 2022 - ACS Publications
RNA modulation via small molecules is a novel approach in pharmacotherapies, where the
determination of the structural properties of RNA motifs is considered a promising way to …

Structural mechanisms for binding and activation of a contact-quenched fluorophore by RhoBAST

Y Zhang, Z Xu, Y Xiao, H Jiang, X Zuo, X Li… - Nature …, 2024 - nature.com
The fluorescent light-up aptamer RhoBAST, which binds and activates the fluorophore–
quencher conjugate tetramethylrhodamine-dinitroaniline with high affinity, super high …

Predicting helical coaxial stacking in RNA multibranch loops

R Tyagi, DH Mathews - Rna, 2007 - rnajournal.cshlp.org
The hypothesis that RNA coaxial stacking can be predicted by free energy minimization
using nearest-neighbor parameters is tested. The results show 58.2% positive predictive …