Can AlphaFold's breakthrough in protein structure help decode the fundamental principles of adaptive cellular immunity?

B McMaster, C Thorpe, G Ogg, CM Deane, H Koohy - Nature Methods, 2024 - nature.com
T cells are essential immune cells responsible for identifying and eliminating pathogens.
Through interactions between their T-cell antigen receptors (TCRs) and antigens presented …

Revolutionizing peptide‐based drug discovery: Advances in the post‐AlphaFold era

L Chang, A Mondal, B Singh… - Wiley …, 2024 - Wiley Online Library
Peptide‐based drugs offer high specificity, potency, and selectivity. However, their inherent
flexibility and differences in conformational preferences between their free and bound states …

Accurate modeling of peptide-MHC structures with AlphaFold

V Mikhaylov, CA Brambley, GLJ Keller, AG Arbuiso… - Structure, 2024 - cell.com
Major histocompatibility complex (MHC) proteins present peptides on the cell surface for T
cell surveillance. Reliable in silico prediction of which peptides would be presented and …

LightMHC: A Light Model for pMHC Structure Prediction with Graph Neural Networks

AP Delaunay, Y Fu, N Gorbushin, R McHardy… - bioRxiv, 2023 - biorxiv.org
The peptide-major histocompatibility complex (pMHC) is a crucial protein in cell-mediated
immune recognition and response. Accurate structure prediction is potentially beneficial for …

GraphMHC: Neoantigen prediction model applying the graph neural network to molecular structure

H Jeong, YR Cho, J Gim, SK Cha, M Kim, DR Kang - Plos one, 2024 - journals.plos.org
Neoantigens are tumor-derived peptides and are biomarkers that can predict prognosis
related to immune checkpoint inhibition by estimating their binding to major …

Predicting protein stability changes under multiple amino acid substitutions using equivariant graph neural networks

S Boyer, S Money-Kyrle, O Bent - arXiv preprint arXiv:2305.19801, 2023 - arxiv.org
The accurate prediction of changes in protein stability under multiple amino acid
substitutions is essential for realising true in-silico protein re-design. To this purpose, we …