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 …
and macromolecules containing carbohydrates and complex glycans. Such an ensemble …
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 …
glycopeptide data sets are summarised.•Review summarises the growth of machine …
Characterization of heparin and severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) spike glycoprotein binding interactions
Severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) has resulted in a
pandemic and continues to spread around the globe at an unprecedented rate. To date, no …
pandemic and continues to spread around the globe at an unprecedented rate. To date, no …
HS, an ancient molecular recognition and information storage glycosaminoglycan, equips hs-proteoglycans with diverse matrix and cell-interactive properties …
Heparan sulfate is a ubiquitous, variably sulfated interactive glycosaminoglycan that
consists of repeating disaccharides of glucuronic acid and glucosamine that are subject to a …
consists of repeating disaccharides of glucuronic acid and glucosamine that are subject to a …
Identification and structural characterization of a novel chondroitin sulfate-specific carbohydrate-binding module: The first member of a new family, CBM100
G Liu, Y Chang, X Mei, G Chen, Y Zhang… - International Journal of …, 2024 - Elsevier
Chondroitin sulfate is a biologically and commercially important polysaccharide with a
variety of applications. Carbohydrate-binding module (CBM) is an important class of …
variety of applications. Carbohydrate-binding module (CBM) is an important class of …
Modeling in the Time of COVID-19: Statistical and Rule-based Mesoscale Models
We present a new technique for the rapid modeling and construction of scientifically
accurate mesoscale biological models. The resulting 3D models are based on a few 2D …
accurate mesoscale biological models. The resulting 3D models are based on a few 2D …
Glycosaminoglycan binding motif at S1/S2 proteolytic cleavage site on spike glycoprotein may facilitate novel coronavirus (SARS-CoV-2) host cell entry
Severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) has resulted in a
pandemic and continues to spread around the globe at an unprecedented rate. To date, no …
pandemic and continues to spread around the globe at an unprecedented rate. To date, no …
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 …
subject of great interest for structural glycobiology. Despite being a challenging task …
Proteomics-based screening of the endothelial heparan sulfate interactome reveals that C-type lectin 14a (CLEC14A) is a heparin-binding protein
DR Sandoval, AG Toledo, CD Painter, EM Tota… - Journal of Biological …, 2020 - ASBMB
Animal cells express heparan sulfate proteoglycans that perform many important cellular
functions by way of heparan sulfate–protein interactions. The identification of membrane …
functions by way of heparan sulfate–protein interactions. The identification of membrane …
Developing and Benchmarking Sulfate and Sulfamate Force Field Parameters via Ab Initio Molecular Dynamics Simulations To Accurately Model Glycosaminoglycan …
M Riopedre-Fernandez, V Kostal… - Journal of Chemical …, 2024 - ACS Publications
Glycosaminoglycans (GAGs) are negatively charged polysaccharides found on cell
surfaces, where they regulate transport pathways of foreign molecules toward the cell. The …
surfaces, where they regulate transport pathways of foreign molecules toward the cell. The …