Structure-based protein design with deep learning

S Ovchinnikov, PS Huang - Current opinion in chemical biology, 2021 - Elsevier
Since the first revelation of proteins functioning as macromolecular machines through their
three dimensional structures, researchers have been intrigued by the marvelous ways the …

De novo protein design, a retrospective

IV Korendovych, WF DeGrado - Quarterly reviews of biophysics, 2020 - cambridge.org
Proteins are molecular machines whose function depends on their ability to achieve
complex folds with precisely defined structural and dynamic properties. The rational design …

Merizo: a rapid and accurate protein domain segmentation method using invariant point attention

AM Lau, SM Kandathil, DT Jones - Nature Communications, 2023 - nature.com
Abstract The AlphaFold Protein Structure Database, containing predictions for over 200
million proteins, has been met with enthusiasm over its potential in enriching structural …

Ig-VAE: Generative modeling of protein structure by direct 3D coordinate generation

RR Eguchi, CA Choe, PS Huang - PLoS computational biology, 2022 - journals.plos.org
While deep learning models have seen increasing applications in protein science, few have
been implemented for protein backbone generation—an important task in structure-based …

A unified approach to protein domain parsing with inter-residue distance matrix

K Zhu, H Su, Z Peng, J Yang - Bioinformatics, 2023 - academic.oup.com
Motivation It is fundamental to cut multi-domain proteins into individual domains, for precise
domain-based structural and functional studies. In the past, sequence-based and structure …

Chainsaw: protein domain segmentation with fully convolutional neural networks

J Wells, A Hawkins-Hooker, N Bordin, I Sillitoe… - …, 2024 - academic.oup.com
Motivation Protein domains are fundamental units of protein structure and play a pivotal role
in understanding folding, function, evolution, and design. The advent of accurate structure …

[PDF][PDF] Ig-vae: generative modeling of immunoglobulin proteins by direct 3d coordinate generation

RR Eguchi, N Anand, CA Choe, PS Huang - Biorxiv, 2020 - researchgate.net
While deep learning models have seen increasing applications in protein science, few have
been implemented for protein backbone generation—an important task in structure-based …

[HTML][HTML] Deep learning approaches for conformational flexibility and switching properties in protein design

LSP Rudden, M Hijazi, P Barth - Frontiers in Molecular Biosciences, 2022 - frontiersin.org
Following the hugely successful application of deep learning methods to protein structure
prediction, an increasing number of design methods seek to leverage generative models to …

[HTML][HTML] De novo design of a highly stable ovoid TIM barrel: Unlocking pocket shape towards functional design

E ChuAlexander, R EguchiRaphael - BioDesign Research, 2022 - spj.science.org
The ability to finely control the structure of protein folds is an important prerequisite to
functional protein design. The TIM barrel fold is an important target for these efforts as it is …

Merizo: a rapid and accurate domain segmentation method using invariant point attention

AM Lau, SM Kandathil, DT Jones - bioRxiv, 2023 - biorxiv.org
Protein domains are distinct, modular and locally compact units of protein structures which
may fold and function independently to the rest of the protein. Identifying the regions …