Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity

SMC Gobeil, K Janowska, S McDowell, K Mansouri… - Science, 2021 - science.org
INTRODUCTION Variants of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-
2) have been circulating worldwide since the beginning of the pandemic. Some are termed …

NMR and molecular modeling reveal specificity of the interactions between CXCL14 and glycosaminoglycans

A Penk, L Baumann, D Huster, SA Samsonov - Glycobiology, 2019 - academic.oup.com
Abstract CXCL14, chemokine (CXC motif) ligand 14, is a novel highly conserved chemokine
with unique features. Despite exhibiting the typical chemokine fold, it has a very short N …

Stacking interactions between carbohydrate and protein quantified by combination of theoretical and experimental methods

M Wimmerová, S Kozmon, I Nečasová, SK Mishra… - 2012 - journals.plos.org
Carbohydrate–receptor interactions are an integral part of biological events. They play an
important role in many cellular processes, such as cell-cell adhesion, cell differentiation and …

polyGraft 1.0: A program for molecular structure and topology generation of polymer‐grafted hybrid nanostructures

G Chen - Journal of Computational Chemistry, 2023 - Wiley Online Library
Polymer‐grafted hybrid materials have been ubiquitously employed in various engineering
applications. The design of these hybrid materials with superior performances requires a …

Insights into the structure and Ion transport of pectin-[BMIM][PF6] electrolytes

S Mohapatra, S Halder, SR Chaudhari… - The Journal of …, 2023 - pubs.aip.org
We investigate the effect of pectin on the structure and ion transport properties of the room-
temperature ionic liquid electrolyte 1-n-butyl-3-methylimidazolium hexafluorophosphate …

Insights into furanose solution conformations: beyond the two-state model

X Wang, RJ Woods - Journal of biomolecular NMR, 2016 - Springer
A two-state model is commonly used for interpreting ring conformations of furanoses based
on NMR scalar 3 J-coupling constants, with the ring populating relatively narrow …

An atomistic perspective on antibody-dependent cellular cytotoxicity quenching by core-fucosylation of IgG1 Fc N-glycans from enhanced sampling molecular …

A Harbison, E Fadda - Glycobiology, 2020 - academic.oup.com
The immunoglobulin type G (IgG) Fc N-glycans are known to modulate the interaction with
membrane-bound Fc γ receptors (FcγRs), fine-tuning the antibody's effector function in a …

Calculating binding free energies for protein–carbohydrate complexes

JA Hadden, MB Tessier, E Fadda, RJ Woods - Glycoinformatics, 2015 - Springer
A variety of computational techniques may be applied to compute theoretical binding free
energies for protein–carbohydrate complexes. Elucidation of the intermolecular interactions …

The β-reducing end in α (2–8)-polysialic acid constitutes a unique structural motif

HF Azurmendi, MD Battistel, J Zarb, F Lichaa… - …, 2017 - academic.oup.com
Over the years, structural characterizations of α (2–8)-polysialic acid (polySia) in solution
have produced inconclusive results. Efforts for obtaining detailed information in this …

Isoform-specific O-glycosylation dictates Ebola virus infectivity

I Bagdonaite, S Abdurahman, M Mirandola… - bioRxiv, 2022 - biorxiv.org
Ebola virus glycoprotein is one of the most heavily O-glycosylated viral envelope
glycoproteins. The glycoprotein possesses a large mucin-like domain responsible for the …