Has AlphaFold 3 reached its success for RNAs?
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 …
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 …
crafted by myriads of noncovalent contacts, of which base pairing and stacking are the most …
Quantitative analysis of nucleic acid three-dimensional structures
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 …
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
To benchmark progress made in RNA three-dimensional modeling and assess newly
developed techniques, reliable and meaningful comparison metrics and associated tools …
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
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 …
using the ab initio quantum-chemical method with inclusion of electron correlation. The …
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 …
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 …
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
The fluorescent light-up aptamer RhoBAST, which binds and activates the fluorophore–
quencher conjugate tetramethylrhodamine-dinitroaniline with high affinity, super high …
quencher conjugate tetramethylrhodamine-dinitroaniline with high affinity, super high …
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 …
iterative triple excitations (CCSD (T)) and the second-order Møller-Plesset perturbational …
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 …
using nearest-neighbor parameters is tested. The results show 58.2% positive predictive …