Opportunities and challenges in design and optimization of protein function

D Listov, CA Goverde, BE Correia… - … Reviews Molecular Cell …, 2024 - nature.com
The field of protein design has made remarkable progress over the past decade. Historically,
the low reliability of purely structure-based design methods limited their application, but …

A new age in protein design empowered by deep learning

H Khakzad, I Igashov, A Schneuing, C Goverde… - Cell Systems, 2023 - cell.com
The rapid progress in the field of deep learning has had a significant impact on protein
design. Deep learning methods have recently produced a breakthrough in protein structure …

Discovery of therapeutic antibodies targeting complex multi-spanning membrane proteins

AD Stephens, T Wilkinson - BioDrugs, 2024 - Springer
Complex integral membrane proteins, which are embedded in the cell surface lipid bilayer
by multiple transmembrane spanning polypeptides, encompass families of proteins that are …

Rationally seeded computational protein design of ɑ-helical barrels

KI Albanese, R Petrenas, F Pirro, EA Naudin… - Nature Chemical …, 2024 - nature.com
Computational protein design is advancing rapidly. Here we describe efficient routes starting
from validated parallel and antiparallel peptide assemblies to design two families of α …

Design of a water-soluble transmembrane receptor kinase with intact molecular function by QTY code

M Li, H Tang, R Qing, Y Wang, J Liu, R Wang… - Nature …, 2024 - nature.com
Membrane proteins are critical to biological processes and central to life sciences and
modern medicine. However, membrane proteins are notoriously challenging to study, mainly …

Reengineering of a flavin‐binding fluorescent protein using ProteinMPNN

A Nikolaev, A Kuzmin, E Markeeva… - Protein …, 2024 - Wiley Online Library
Recent advances in machine learning techniques have led to development of a number of
protein design and engineering approaches. One of them, ProteinMPNN, predicts an amino …

Diversifying de novo TIM barrels by hallucination

J Beck, S Shanmugaratnam, B Höcker - Protein Science, 2024 - Wiley Online Library
De novo protein design expands the protein universe by creating new sequences to
accomplish tailor‐made enzymes in the future. A promising topology to implement diverse …

[HTML][HTML] Contextual protein and antibody encodings from equivariant graph transformers

SP Mahajan, JA Ruffolo, JJ Gray - bioRxiv, 2023 - ncbi.nlm.nih.gov
The optimal residue identity at each position in a protein is determined by its structural,
evolutionary, and functional context. We seek to learn the representation space of the …

Rationally seeded computational protein design

KI Albanese, R Petrenas, F Pirro, EA Naudin, U Borucu… - bioRxiv, 2023 - biorxiv.org
Computational protein design is advancing rapidly. Here we describe efficient routes to two
families of α-helical-barrel proteins with central channels that bind small molecules. The …

[HTML][HTML] An integrative approach to protein sequence design through multiobjective optimization

L Hong, T Kortemme - bioRxiv, 2024 - ncbi.nlm.nih.gov
With recent methodological advances in the field of computational protein design, in
particular those based on deep learning, there is an increasing need for frameworks that …