[HTML][HTML] Advances in computational structure-based antibody design

AM Hummer, B Abanades, CM Deane - Current opinion in structural biology, 2022 - Elsevier
Antibodies are currently the most important class of biotherapeutics and are used to treat
numerous diseases. Recent advances in computational methods are ushering in a new era …

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 develo** and designing these molecules are …

[HTML][HTML] Progen2: exploring the boundaries of protein language models

E Nijkamp, JA Ruffolo, EN Weinstein, N Naik, A Madani - Cell systems, 2023 - cell.com
Attention-based models trained on protein sequences have demonstrated incredible
success at classification and generation tasks relevant for artificial-intelligence-driven …

Fine-tuning protein language models boosts predictions across diverse tasks

R Schmirler, M Heinzinger, B Rost - Nature Communications, 2024 - nature.com
Prediction methods inputting embeddings from protein language models have reached or
even surpassed state-of-the-art performance on many protein prediction tasks. In natural …

Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies

JA Ruffolo, LS Chu, SP Mahajan, JJ Gray - Nature communications, 2023 - nature.com
Antibodies have the capacity to bind a diverse set of antigens, and they have become critical
therapeutics and diagnostic molecules. The binding of antibodies is facilitated by a set of six …

Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies

JA Ruffolo, JJ Gray - Biophysical Journal, 2022 - cell.com
1Program in Molecular Biophysics, Johns Hopkins University, Baltimore, MD, USA,
2Department of Chemical and Biomolecular Engineering, Johns Hopkins University …

IgLM: Infilling language modeling for antibody sequence design

RW Shuai, JA Ruffolo, JJ Gray - Cell Systems, 2023 - cell.com
Discovery and optimization of monoclonal antibodies for therapeutic applications relies on
large sequence libraries but is hindered by developability issues such as low solubility, high …

In silico proof of principle of machine learning-based antibody design at unconstrained scale

R Akbar, PA Robert, CR Weber, M Widrich, R Frank… - MAbs, 2022 - Taylor & Francis
Generative machine learning (ML) has been postulated to become a major driver in the
computational design of antigen-specific monoclonal antibodies (mAb). However, efforts to …

[HTML][HTML] Artificial intelligence in pharmaceutical sciences

M Lu, J Yin, Q Zhu, G Lin, M Mou, F Liu, Z Pan, N You… - Engineering, 2023 - Elsevier
Drug discovery and development affects various aspects of human health and dramatically
impacts the pharmaceutical market. However, investments in a new drug often go …

Adaptive immune receptor repertoire analysis

V Mhanna, H Bashour, K Lê Quý, P Barennes… - Nature Reviews …, 2024 - nature.com
B cell and T cell receptor repertoires compose the adaptive immune receptor repertoire
(AIRR) of an individual. The AIRR is a unique collection of antigen-specific receptors that …