Machine-designed biotherapeutics: opportunities, feasibility and advantages of deep learning in computational antibody discovery

W Wilman, S Wróbel, W Bielska… - Briefings in …, 2022 - academic.oup.com
Antibodies are versatile molecular binders with an established and growing role as
therapeutics. Computational approaches to developing and designing these molecules are …

[HTML][HTML] The structural basis of antibody-antigen recognition

I Sela-Culang, V Kunik, Y Ofran - Frontiers in immunology, 2013 - frontiersin.org
The function of antibodies (Abs) involves specific binding to antigens (Ags) and activation of
other components of the immune system to fight pathogens. The six hypervariable loops …

[HTML][HTML] Germinal centre-driven maturation of B cell response to mRNA vaccination

W Kim, JQ Zhou, SC Horvath, AJ Schmitz, AJ Sturtz… - Nature, 2022 - nature.com
Germinal centres (GC) are lymphoid structures in which B cells acquire affinity-enhancing
somatic hypermutations (SHM), with surviving clones differentiating into memory B cells …

Hopfield networks is all you need

H Ramsauer, B Schäfl, J Lehner, P Seidl… - arXiv preprint arXiv …, 2020 - arxiv.org
We introduce a modern Hopfield network with continuous states and a corresponding
update rule. The new Hopfield network can store exponentially (with the dimension of the …

Human germinal centres engage memory and naive B cells after influenza vaccination

JS Turner, JQ Zhou, J Han, AJ Schmitz, AA Rizk… - Nature, 2020 - nature.com
Influenza viruses remain a major public health threat. Seasonal influenza vaccination in
humans primarily stimulates pre-existing memory B cells, which differentiate into a transient …

CoV-AbDab: the coronavirus antibody database

MIJ Raybould, A Kovaltsuk, C Marks… - Bioinformatics, 2021 - academic.oup.com
Motivation The emergence of a novel strain of betacoronavirus, SARS-CoV-2, has led to a
pandemic that has been associated with over 700 000 deaths as of August 5, 2020 …

[HTML][HTML] Protein design and variant prediction using autoregressive generative models

JE Shin, AJ Riesselman, AW Kollasch… - Nature …, 2021 - nature.com
The ability to design functional sequences and predict effects of variation is central to protein
engineering and biotherapeutics. State-of-art computational methods rely on models that …

Iterative refinement graph neural network for antibody sequence-structure co-design

W Jin, J Wohlwend, R Barzilay, T Jaakkola - arXiv preprint arXiv …, 2021 - arxiv.org
Antibodies are versatile proteins that bind to pathogens like viruses and stimulate the
adaptive immune system. The specificity of antibody binding is determined by …

Structure-informed language models are protein designers

Z Zheng, Y Deng, D Xue, Y Zhou… - … on machine learning, 2023 - proceedings.mlr.press
This paper demonstrates that language models are strong structure-based protein
designers. We present LM-Design, a generic approach to reprogramming sequence-based …

ABlooper: fast accurate antibody CDR loop structure prediction with accuracy estimation

B Abanades, G Georges, A Bujotzek… - Bioinformatics, 2022 - academic.oup.com
Motivation Antibodies are a key component of the immune system and have been
extensively used as biotherapeutics. Accurate knowledge of their structure is central to …