Progress and challenges for the machine learning-based design of fit-for-purpose monoclonal antibodies

R Akbar, H Bashour, P Rawat, PA Robert, E Smorodina… - MAbs, 2022 - Taylor & Francis
Although the therapeutic efficacy and commercial success of monoclonal antibodies (mAbs)
are tremendous, the design and discovery of new candidates remain a time and cost …

[HTML][HTML] Teaching AI to speak protein

M Heinzinger, B Rost - Current Opinion in Structural Biology, 2025 - Elsevier
Highlights•Protein Language Models (pLMs) tap into large unlabeled data to transform
protein science.•pLMs boost protein structure and function prediction performance and …

Learning functional properties of proteins with language models

S Unsal, H Atas, M Albayrak, K Turhan… - Nature Machine …, 2022 - nature.com
Data-centric approaches have been used to develop predictive methods for elucidating
uncharacterized properties of proteins; however, studies indicate that these methods should …

Lm-gvp: an extensible sequence and structure informed deep learning framework for protein property prediction

Z Wang, SA Combs, R Brand, MR Calvo, P Xu… - Scientific reports, 2022 - nature.com
Proteins perform many essential functions in biological systems and can be successfully
developed as bio-therapeutics. It is invaluable to be able to predict their properties based on …

NetGO 3.0: protein language model improves large-scale functional annotations

S Wang, R You, Y Liu, Y **ong… - Genomics, Proteomics & …, 2023 - academic.oup.com
As one of the state-of-the-art automated function prediction (AFP) methods, NetGO 2.0
integrates multi-source information to improve the performance. However, it mainly utilizes …

Novel machine learning approaches revolutionize protein knowledge

N Bordin, C Dallago, M Heinzinger, S Kim… - Trends in Biochemical …, 2023 - cell.com
Breakthrough methods in machine learning (ML), protein structure prediction, and novel
ultrafast structural aligners are revolutionizing structural biology. Obtaining accurate models …

Accurate protein function prediction via graph attention networks with predicted structure information

B Lai, J Xu - Briefings in Bioinformatics, 2022 - academic.oup.com
Experimental protein function annotation does not scale with the fast-growing sequence
databases. Only a tiny fraction (< 0.1%) of protein sequences has experimentally determined …

Integrating unsupervised language model with triplet neural networks for protein gene ontology prediction

YH Zhu, C Zhang, DJ Yu, Y Zhang - PLOS Computational Biology, 2022 - journals.plos.org
Accurate identification of protein function is critical to elucidate life mechanisms and design
new drugs. We proposed a novel deep-learning method, ATGO, to predict Gene Ontology …

Contrastive learning on protein embeddings enlightens midnight zone

M Heinzinger, M Littmann, I Sillitoe… - NAR genomics and …, 2022 - academic.oup.com
Experimental structures are leveraged through multiple sequence alignments, or more
generally through homology-based inference (HBI), facilitating the transfer of information …

Improving protein succinylation sites prediction using embeddings from protein language model

S Pokharel, P Pratyush, M Heinzinger, RH Newman… - Scientific reports, 2022 - nature.com
Protein succinylation is an important post-translational modification (PTM) responsible for
many vital metabolic activities in cells, including cellular respiration, regulation, and repair …