On scientific understanding with artificial intelligence
An oracle that correctly predicts the outcome of every particle physics experiment, the
products of every possible chemical reaction or the function of every protein would …
products of every possible chemical reaction or the function of every protein would …
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 …
Fine-tuning the spike: role of the nature and topology of the glycan shield in the structure and dynamics of the SARS-CoV-2 S
The dense glycan shield is an essential feature of the SARS-CoV-2 spike (S) architecture,
key to immune evasion and to the activation of the prefusion conformation. Recent studies …
key to immune evasion and to the activation of the prefusion conformation. Recent studies …
[HTML][HTML] Molecular simulations of complex carbohydrates and glycoconjugates
E Fadda - Current Opinion in Chemical Biology, 2022 - Elsevier
Complex carbohydrates (glycans) are the most abundant and versatile biopolymers in
nature. The broad diversity of biochemical functions that carbohydrates cover is a direct …
nature. The broad diversity of biochemical functions that carbohydrates cover is a direct …
The role of fucose-containing glycan motifs across taxonomic kingdoms
The extraordinary diversity of glycans leads to large differences in the glycomes of different
kingdoms of life. Yet, while most monosaccharides are solely found in certain taxonomic …
kingdoms of life. Yet, while most monosaccharides are solely found in certain taxonomic …
Reprogramming sphingolipid glycosylation is required for endosymbiont persistence in Medicago truncatula
Plant endosymbiosis relies on the development of specialized membranes that encapsulate
the endosymbiont and facilitate nutrient exchange. However, the identity and function of …
the endosymbiont and facilitate nutrient exchange. However, the identity and function of …
Conformational preferences of triantennary and tetraantennary hybrid N-glycans in aqueous solution: Insights from 20 μs long atomistic molecular dynamic …
In the current study, we have investigated the conformational dynamics of a triantennary (N-
glycan1) and tetraantennary (N-glycan2) hybrid N-glycans found on the surface of the HIV …
glycan1) and tetraantennary (N-glycan2) hybrid N-glycans found on the surface of the HIV …
Rapid automated annotation and analysis of N-glycan mass spectrometry imaging data sets using NGlycDB in METASPACE
D Veličković, T Bečejac, S Mamedov… - Analytical …, 2021 - ACS Publications
Imaging N-glycan spatial distribution in tissues using mass spectrometry imaging (MSI) is
emerging as a promising tool in biological and clinical applications. However, there is …
emerging as a promising tool in biological and clinical applications. However, there is …
Oligomannose N-Glycans 3D Architecture and Its Response to the FcγRIIIa Structural Landscape
CA Fogarty, E Fadda - The journal of physical chemistry B, 2021 - ACS Publications
Oligomannoses are evolutionarily the oldest class of N-glycans, where the arms of the
common pentasaccharide unit, ie, Manα (1–6)-[Manα (1–3)]-Manβ (1–4)-GlcNAcβ (1–4) …
common pentasaccharide unit, ie, Manα (1–6)-[Manα (1–3)]-Manβ (1–4)-GlcNAcβ (1–4) …
Identification and characterization of an α-1, 3 mannosidase from Elizabethkingia meningoseptica and its potential attenuation impact on allergy associated with cross …
D Shen, X Lu, W Li, L Zou, Y Tong, L Wang… - Biochemical and …, 2023 - Elsevier
Abstract Core α-1, 3 mannose is structurally near the core xylose and core fucose on core
pentasaccharide from plant and insect glycoproteins. Mannosidase is a useful tool for …
pentasaccharide from plant and insect glycoproteins. Mannosidase is a useful tool for …