Multifaceted computational modeling in glycoscience

S Perez, O Makshakova - Chemical Reviews, 2022 - ACS Publications
Glycoscience assembles all the scientific disciplines involved in studying various molecules
and macromolecules containing carbohydrates and complex glycans. Such an ensemble …

Predicting the structures of glycans, glycoproteins, and their complexes

RJ Woods - Chemical reviews, 2018 - ACS Publications
Complex carbohydrates are ubiquitous in nature, and together with proteins and nucleic
acids they comprise the building blocks of life. But unlike proteins and nucleic acids …

Analysis of the SARS-CoV-2 spike protein glycan shield reveals implications for immune recognition

OC Grant, D Montgomery, K Ito, RJ Woods - Scientific reports, 2020 - nature.com
Here we have generated 3D structures of glycoforms of the spike (S) glycoprotein from
SARS-CoV-2, based on reported 3D structures and glycomics data for the protein produced …

Virus-receptor interactions of glycosylated SARS-CoV-2 spike and human ACE2 receptor

P Zhao, JL Praissman, OC Grant, Y Cai, T Xiao… - Cell host & …, 2020 - cell.com
The SARS-CoV-2 betacoronavirus uses its highly glycosylated trimeric Spike protein to bind
to the cell surface receptor angiotensin converting enzyme 2 (ACE2) glycoprotein and …

Recent advances in glycoinformatic platforms for glycomics and glycoproteomics

JL Abrahams, G Taherzadeh, G Jarvas… - Current opinion in …, 2020 - Elsevier
Highlights•Recent advancements in glycoinformatics tools to support analysis of glycan and
glycopeptide data sets are summarised.•Review summarises the growth of machine …

Galectin binding to cells and glycoproteins with genetically modified glycosylation reveals galectin–glycan specificities in a natural context

MI Nielsen, J Stegmayr, OC Grant, Z Yang… - Journal of Biological …, 2018 - ASBMB
Galectins compose a protein family defined by a conserved sequence motif conferring
affinity for β-galactose–containing glycans. Moreover, galectins gain higher affinity and fine …

Big-data glycomics: tools to connect glycan biosynthesis to extracellular communication

BP Kellman, NE Lewis - Trends in biochemical sciences, 2021 - cell.com
Characteristically, cells must sense and respond to environmental cues. Despite the
importance of cell–cell communication, our understanding remains limited and often lacks …

Glycowork: A Python package for glycan data science and machine learning

L Thomès, R Burkholz, D Bojar - Glycobiology, 2021 - academic.oup.com
While glycans are crucial for biological processes, existing analysis modalities make it
difficult for researchers with limited computational background to include these diverse …

Three-dimensional structures of carbohydrates and where to find them

SI Scherbinina, PV Toukach - International journal of molecular sciences, 2020 - mdpi.com
Analysis and systematization of accumulated data on carbohydrate structural diversity is a
subject of great interest for structural glycobiology. Despite being a challenging task …

Allosteric regulation of lysosomal enzyme recognition by the cation-independent mannose 6-phosphate receptor

LJ Olson, SK Misra, M Ishihara, KP Battaile… - Communications …, 2020 - nature.com
The cation-independent mannose 6-phosphate receptor (CI-MPR, IGF2 receptor or CD222),
is a multifunctional glycoprotein required for normal development. Through the receptor's …