Immunoinformatics-Aided Design and In Vivo Validation of a Peptide-Based Multiepitope Vaccine Targeting Canine Circovirus

V Kaushik, P Jain, N Akhtar, A Joshi… - ACS Pharmacology & …, 2022 - ACS Publications
Canine circovirus (CanineCV) is a deadly pathogen affecting both domestic and wild
carnivores including dogs. No vaccine against CanineCV is available commercially or under …

Quantum chemical benchmark study on 46 RNA backbone families using a dinucleotide unit

H Kruse, A Mladek, K Gkionis, A Hansen… - Journal of Chemical …, 2015 - ACS Publications
We have created a benchmark set of quantum chemical structure–energy data denoted as
UpU46, which consists of 46 uracil dinucleotides (UpU), representing all known 46 RNA …

Ribonanza: deep learning of RNA structure through dual crowdsourcing

S He, R Huang, J Townley, RC Kretsch… - …, 2024 - pmc.ncbi.nlm.nih.gov
Prediction of RNA structure from sequence remains an unsolved problem, and progress has
been slowed by a paucity of experimental data. Here, we present Ribonanza, a dataset of …

An atlas of RNA base pairs involving modified nucleobases with optimal geometries and accurate energies

M Chawla, R Oliva, JM Bujnicki… - Nucleic acids …, 2015 - academic.oup.com
Posttranscriptional modifications greatly enhance the chemical information of RNA
molecules, contributing to explain the diversity of their structures and functions. A significant …

Occurrence and stability of lone pair–π stacking interactions between ribose and nucleobases in functional RNAs

M Chawla, E Chermak, Q Zhang… - Nucleic acids …, 2017 - academic.oup.com
The specific folding pattern and function of RNA molecules lies in various weak interactions,
in addition to the strong base-base pairing and stacking. One of these relatively weak …

Occurrence and stability of lone pair-π and OH–π interactions between water and nucleobases in functional RNAs

K Kalra, S Gorle, L Cavallo, R Oliva… - Nucleic acids …, 2020 - academic.oup.com
We identified over 1000 instances of water-nucleobase stacking contacts in a variety of RNA
molecules from a non-redundant set of crystal structures with resolution≤ 3.0 Å. Such …

Occurrence and stability of anion–π interactions between phosphate and nucleobases in functional RNA molecules

M Chawla, K Kalra, Z Cao, L Cavallo… - Nucleic acids …, 2022 - academic.oup.com
We present a systematic structural and energetic characterization of phosphate (OP)–
nucleobase anion… π stacking interactions in RNAs. We observed OP–nucleobase stacking …

An intricate balance of hydrogen bonding, ion atmosphere and dynamics facilitates a seamless uracil to cytosine substitution in the U-turn of the neomycin-sensing …

M Krepl, J Vögele, H Kruse… - Nucleic acids …, 2018 - academic.oup.com
The neomycin sensing riboswitch is the smallest biologically functional RNA riboswitch,
forming a hairpin capped with a U-turn loop—a well-known RNA motif containing a …

Estimating strengths of individual hydrogen bonds in RNA base pairs: Toward a consensus between different computational approaches

A Halder, D Data, PP Seelam, D Bhattacharyya… - ACS …, 2019 - ACS Publications
Noncoding RNA molecules are composed of a large variety of noncanonical base pairs that
shape up their functionally competent folded structures. Each base pair is composed of at …

Unveiling structural and energetic characterization of the emissive RNA alphabet anchored in the methylthieno [3, 4-d] pyrimidine heterocycle core

M Chawla, A Poater, R Oliva, L Cavallo - Physical Chemistry Chemical …, 2024 - pubs.rsc.org
This study presents a comprehensive theoretical exploration of the fluorescent non-natural
emissive nucleobases-mthA, mthG, mthC, and mthU derived from the methylthieno [3, 4-d] …