Molecular representations in AI-driven drug discovery: a review and practical guide

L David, A Thakkar, R Mercado, O Engkvist - Journal of Cheminformatics, 2020 - Springer
The technological advances of the past century, marked by the computer revolution and the
advent of high-throughput screening technologies in drug discovery, opened the path to the …

Glycoinformatics in the artificial intelligence era

D Bojar, F Lisacek - Chemical Reviews, 2022 - ACS Publications
Artificial intelligence (AI) methods have been and are now being increasingly integrated in
prediction software implemented in bioinformatics and its glycoscience branch known as …

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 …

The international glycan repository GlyTouCan version 3.0

A Fujita, NP Aoki, D Shinmachi… - Nucleic acids …, 2021 - academic.oup.com
Glycans serve important roles in signaling events and cell-cell communication, and they are
recognized by lectins, viruses and bacteria, playing a variety of roles in many biological …

Deep-learning resources for studying glycan-mediated host-microbe interactions

D Bojar, RK Powers, DM Camacho, JJ Collins - Cell Host & Microbe, 2021 - cell.com
Glycans, the most diverse biopolymer, are shaped by evolutionary pressures stemming from
host-microbe interactions. Here, we present machine learning and bioinformatics methods to …

GlycoDraw: a python implementation for generating high-quality glycan figures

J Lundstrøm, J Urban, L Thomès, D Bojar - Glycobiology, 2023 - academic.oup.com
Glycans are essential to all scales of biology, with their intricate structures being crucial for
their biological functions. The structural complexity of glycans is communicated through …

Chemoenzymatic synthesis of genetically-encoded multivalent liquid N-glycan arrays

CL Lin, M Sojitra, EJ Carpenter, ES Hayhoe… - Nature …, 2023 - nature.com
Cellular glycosylation is characterized by chemical complexity and heterogeneity, which is
challenging to reproduce synthetically. Here we show chemoenzymatic synthesis on phage …

Artificial intelligence in the analysis of glycosylation data

H Li, AWT Chiang, NE Lewis - Biotechnology advances, 2022 - Elsevier
Glycans are complex, yet ubiquitous across biological systems. They are involved in diverse
essential organismal functions. Aberrant glycosylation may lead to disease development …

Decoding glycomics with a suite of methods for differential expression analysis

J Lundstrøm, J Urban, D Bojar - Cell Reports Methods, 2023 - cell.com
Glycomics, the comprehensive profiling of all glycan structures in samples, is rapidly
expanding to enable insights into physiology and disease mechanisms. However, glycan …

A periodic table of monosaccharides

RD Cummings - Glycobiology, 2024 - academic.oup.com
It is important to recognize the great diversity of monosaccharides commonly encountered in
animals, plants, and microbes, as well as to organize them in a visually interesting style that …